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Profile: Shanghai Chemhere Co., Ltd. deals with lab reagent, fine chemicals and active pharmaceutical ingredients. We develop catalysts and key reagents for laboratories. Our chemicals are used in research institutes and universities. We also offer custom synthesis in both research and development scale.

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• 7-Amino-3-(1,2,3-triazol-4-ylthio)methyl Cephalosporanic Acid
IUPAC Name: (6R,7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 37539-03-0
Synonyms: (6R-trans)-7-Amino-8-oxo-3-((1H-1,2,3-triazol-4-ylthio)methyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, (6R-trans)-7-Amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, AC1O46OY, SureCN8973838, SureCN10594330, CTK1C4891, EINECS 253-547-4, AG-F-32026, 7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic Acid, (6R,7R)-7-amino-8-oxo-3-(2H-triazol-4-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, (6R,7R)-7-Amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R,7R)- (9CI), 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-[(1H-1,2,3-triazol-4-ylthio)methyl]-, (6R-trans)-;1H-1,2,3-Triazole, 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidderiv.;7-Amino-3-(1,2,3-triazol-5-ylthiomethyl)-3-cephem-4-carboxylic acid;

Molecular Formula: C10H11N5O3S2Molecular Weight: 313.356040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: MLOZJRLUNNFSGD-HZGVNTEJSA-N

• 2-Allyloxybenzaldehyde
IUPAC Name: 2-prop-2-enoxybenzaldehyde | CAS Registry Number: 28752-82-1
Synonyms: o-Allyloxybenzaldehyde, o-(Allyloxy)benzaldehyde, 2-(Allyloxy)benzaldehyde, Benzaldehyde, o-(allyloxy)-, Benzaldehyde, 2-(2-propenyloxy)-, 445509_ALDRICH, ALBB-003538, EINECS 249-198-2, NSC406724, SBB007636, ZINC01599402, FR-0009, AI3-05767

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BXCJDECTRRMSCV-UHFFFAOYSA-N

• 4-Methoxyphenylacetone
IUPAC Name: 1-(4-methoxyphenyl)propan-2-one | CAS Registry Number: 122-84-9
Synonyms: Anisketone, p-Acetonylanisole, p-Anisylactone, Anisic ketone, Anisalacetone, Anisolacetone, Anisyl methyl ketone, p-Methoxyphenylacetone, 4-Methoxybenzyl methyl ketone, p-Methoxybenzyl methyl ketone, 2-Propanone, 1-(4-methoxyphenyl)-, 1-(4-Methoxyphenyl)acetone, 1-(p-Anisyl)-2-propanone, 1-(p-Methoxyphenyl)-2-propanone, 4'-Methoxyphenyl-2-propanone, (p-Methoxyphenyl)-2-propanone, FEMA No. 2674, 1-(4-Methoxyphenyl)-2-propanone, ghl.PD_Mitscher_leg0.658, W267406_ALDRICH

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WFWKNGZODAOLEO-UHFFFAOYSA-N

• 8-Amino-6-MethoxyQuinoline
IUPAC Name: 6-methoxyquinolin-8-amine | CAS Registry Number: 90-52-8
Synonyms: Amichin, 8-Amino-6-methoxyquinoline, 6-Methoxy-8-quinolinamine, 6-Methoxy-8-aminoquinoline, 6-Methoxy-8-quinolylamine, 8-Quinolinamine, 6-methoxy-, 8-Quinolineamine, 6-methoxy-, NSC13573, EINECS 202-001-3, QUINOLINE, 8-AMINO-6-METHOXY-, WLN: T66 BNJ HO1 JZ, NSC 13573, AIDS011310, NSC 119507, AIDS-011310, ZERO/008507, BRN 0133397, NSC119507, ZINC00403451, 8-Quinolinamine, 6-methoxy- (9CI)

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGGTVPCTAKYCSQ-UHFFFAOYSA-N

• 4-Methyl Phenyl Propionic Acid
IUPAC Name: 3-(4-methylphenyl)propanoic acid | CAS Registry Number: 1505-50-6
Synonyms: 3-(p-Tolyl)propionic acid, p-Methylhydrocinnamic acid, 2ay4, Maybridge3_000616, 3-(4-Methylphenyl)propionic acid, 118265_ALDRICH, NSC512, 3-(4-Methylphenyl)propanoic acid, CID73927, EINECS 216-132-9, SBB016295, P-(METHYLPHENYL)PROPANOIC ACID, DB03400, IDI1_012003, PPT, InChI=1/C10H12O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LDYGRLNSOKABMM-UHFFFAOYSA-N

• 4-Phenylbutyrolactone
IUPAC Name: 5-phenyloxolan-2-one | CAS Registry Number: 1008-76-0
Synonyms: 4-Phenylbutanolide, 4-Phenyl-4-butanolide, gamma-Phenyl-gamma-butyrolactone, .gamma.-Phenylbutyrolactone, ghl.PD_Mitscher_leg0.1063, .gamma.-Phenyl-.gamma.-butyrolactone, 176451_ALDRICH, 2(3H)-Furanone, dihydro-5-phenyl-, 5-phenyl-tetrahydro-furan-2-one, EINECS 213-761-0, 4-Phenyl-4-hydroxybutanoic acid lactone, NSC 24259, NSC 48048, NSC24259, NSC48048, BRN 0125169, 4,5-Dihydro-5-phenyl-2(3H)-furanone, LS-70463, ST5406648, 2(3H)-Furanone, dihydro-5-phenyl- (8CI)

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AEUULUMEYIPECD-UHFFFAOYSA-N

• 2,4,6-Trimethylphenyl Isothiocyanate
IUPAC Name: 2-isothiocyanato-1,3,5-trimethylbenzene | CAS Registry Number: 6095-82-5
Synonyms: 2,4,6-Trimethylphenyl isothiocyanate, ZINC00164716, 2-Isothiocyanato-1,3,5-trimethylbenzene, CID138659, BBR-026938

Molecular Formula: C10H11NSMolecular Weight: 177.266040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KKYMYPLVBCVDPL-UHFFFAOYSA-N

• 4-Chloro-4'-Fluoro Butyrophenone
IUPAC Name: 4-chloro-1-(4-fluorophenyl)butan-1-one | CAS Registry Number: 3874-54-2
Synonyms: p-Fluorobenzoylpropyl chloride, 4-Chloro-4'-fluorobutyrophenone, 4-Fluorobenzoylpropyl chloride, 4-Chloro-p-fluorobutyrophenone, p-Fluoro-4-chlorobutyrophenone, NCIOpen2_005403, C43609_ALDRICH, 3-Chloro-4'-fluorobutyrophenone, 4'-Fluoro-4-chlorobutyrophenone, .gamma.-Chloro-p-fluorobutyrophenone, 3-(p-Fluorobenzoyl)propyl chloride, gamma-Chloro-p-fluorobutyrophene, 3-(4-Fluorobenzoyl)propyl chloride, Butyrophenone, 4-chloro-4'-fluoro-, gamma-Chloro-p-fluorobutyrophenone, p-Fluoro-gamma-chlorobutyrophenone, .gamma.-Chloro-p-fluorobutyrophene, 1-Butanone, 4-chloro-1-(4-fluorophenyl)-, gamma-Chloro-4-fluorobutyrophenone, 3-Chloropropyl 4'-fluorophenyl ketone

Molecular Formula: C10H10ClFOMolecular Weight: 200.637203 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HXAOUYGZEOZTJO-UHFFFAOYSA-N

• 5-Chlorotryptamine
IUPAC Name: 2-(5-chloro-1H-indol-3-yl)ethanamine | CAS Registry Number: 3764-94-1
Synonyms: nchembio.141-comp2a, CBMicro_013645, Oprea1_792077, ZERO/005526, 5-Chloro-1H-indole-3-ethylamine, ALBB-004962, EINECS 223-184-6, 1H-Indole-3-ethanamine, 5-chloro-, 2-(5-chloro-1H-indol-3-yl)ethanamine, 2-(5-Chloro-1H-indol-3-yl)ethylamine, EU-0011875

Molecular Formula: C10H11ClN2Molecular Weight: 194.660740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FVQKQPVVCKOWLM-UHFFFAOYSA-N

• 4-(1H-Pyrazol-1-Ylmethyl)aniline
IUPAC Name: 4-(pyrazol-1-ylmethyl)aniline | CAS Registry Number: 142335-61-3
Synonyms: Oprea1_796053, 4-Pyrazol-1-ylmethyl-phenylamine, ZINC00170354, 4-(1H-pyrazol-1-ylmethyl)aniline, STK301671, CID2764412, BAS 07758485, T6420352

Molecular Formula: C10H11N3Molecular Weight: 173.214440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ISRYTHBRUSOVAB-UHFFFAOYSA-N

• 2-(4-Bromomethyl phenyl) Propionic Acid
IUPAC Name: (2R)-2-[4-(bromomethyl)phenyl]propanoate | CAS Registry Number: 111128-12-2
Synonyms: ZINC02576953, ZINC04283572, CID7167707

Molecular Formula: C10H10BrO2-Molecular Weight: 242.089200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QQXBRVQJMKBAOZ-SSDOTTSWSA-M

• 1-Acetyl-5-bromoindoline
IUPAC Name: 1-(5-bromo-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 22190-38-1
Synonyms: Maybridge1_005011, A6125_SIGMA, ZINC00124999, CID721847, ST013850, A-0700

Molecular Formula: C10H10BrNOMolecular Weight: 240.096500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WQKQAIXOTCPWFE-UHFFFAOYSA-N

• 6-Fluoro-2-Methyl-1,2,3,4-Tetrahydroquinoline
IUPAC Name: 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline | CAS Registry Number: 42835-89-2
Synonyms: STOCK1S-52663, EINECS 255-963-1, CID591684, ZINC00389572, 6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline, Quinoline, 6-fluoro-1,2,3,4-tetrahydro-2-methyl-, .+/-.-6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline

Molecular Formula: C10H12FNMolecular Weight: 165.207383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BDCCXYVTXRUGAN-UHFFFAOYSA-N

• 6-Chloro-2-fluoropurine
IUPAC Name: 6-chloro-2-fluoro-7H-purine | CAS Registry Number: 1651-29-2
Synonyms: 1jdj, nchembio.87-comp26, 2-Fluoro-6-chloropurine, 6-Chloro-2-fluoro-9H-purine, 6-CHLORO-2-FLUOROPURINE, NSC37363, ZINC04242552, CID5287914, TL8001267, CFP

Molecular Formula: C5H2ClFN4Molecular Weight: 172.547583 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UNRIYCIDCQDGQE-UHFFFAOYSA-N

• 4-(2-Pyridyl)-2-Methyl-3-Butyn-2-Ol
IUPAC Name: 2-methyl-4-pyridin-2-ylbut-3-yn-2-ol | CAS Registry Number: 29767-97-3
Synonyms: 4-(2-Pyridyl)-2-Methyl-3-Butyn-2-ol, 2-methyl-4-(2-pyridinyl)-3-butyn-2-ol, 2-methyl-4-(pyridin-2-yl)but-3-yn-2-ol, 2-methyl-4-(2-pyridyl)but-3-yn-2-ol, ZINC00076475, ACMC-20amxd, AC1LF7DU, AC1Q1NNL, SureCN1201922, Oprea1_792862, Oprea1_799539, STOCK1N-48052, CTK0J1104, MolPort-000-757-322, HMS1578K02, CCG-1972, CCG-2128, SBB087535, STK386856, AKOS000623497

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBUWIVMOMHEALF-UHFFFAOYSA-N

• 6-Nitroveratric Acid Methyl Ester
IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate | CAS Registry Number: 26791-93-5
Synonyms: Oprea1_288439, Methyl 4,5-dimethoxy-2-nitrobenzoate, EINECS 248-008-5, ZINC00056523, ST5319772, TL8002130, 4,5-Dimethoxy-2-nitrobenzoic acid, methyl ester, Benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester, InChI=1/C10H11NO6/c1-15-8-4-6(10(12)17-3)7(11(13)14)5-9(8)16-2/h4-5H,1-3H

Molecular Formula: C10H11NO6Molecular Weight: 241.197440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SYYKLKHBZGFKOC-UHFFFAOYSA-N

• 2,5-Diethoxy-4-[(4-Methylphenyl)Thil]-(T-4)Tetrachlorozinecate Benzenediazonium
IUPAC Name: zinc 2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium tetrachloride | CAS Registry Number: 38656-51-8
Synonyms: NSC 60652, EINECS 254-062-0, CID162318, 2,5-Diethoxy-4-(p-tolylthio)benzenediazonium chloride zinc chloride(2:1), 4-(p-Tolylthio)-2,5-diethoxybenzenediazonium chloride, zinc chloride, 4-Diazo-2,5-diethoxyphenyl p-tolyl sulfide, chloride, zinc chloride(2:1), 4-Diazonium-2,5-diethoxy-1-(4-tolylmercapto)benzene, zinc chloride salt, 2,5-Diethoxy-4-((4-methylphenyl)thio)benzenediazonium tetrachlorozincate (2:1), 162142-54-3, 64608-83-9, Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, (beta-4)-tetrachlorozincate(2-) (2:1), Benzenediazonium, 2,5-diethoxy-4-((4-methylphenyl)thio)-, (T-4)-tetrachlorozincate(2-) (2:1)

Molecular Formula: C34H38Cl4N4O4S2ZnMolecular Weight: 838.040920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: KCIBXAZYWVZCHR-UHFFFAOYSA-J

• 7-7-methyl-3,4-dihydro-2H-1,5-benzdioxepine-3-one
IUPAC Name: 8-methyl-1,5-benzodioxepin-3-one | CAS Registry Number: 28940-11-6
Synonyms: EINECS 249-320-4, CID120101, 7-Methyl-2H-benzo-1,5-dioxepin-3(4H)-one, 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-, 7-Methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-one, 35783-05-2

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SWUIQEBPZIHZQS-UHFFFAOYSA-N

• 4-[(3-Pyridinylcarbonyl)amino]-Butanoic Acid Monosodium Salt
IUPAC Name: sodium 4-(pyridine-3-carbonylamino)butanoate | CAS Registry Number: 62936-56-5
Synonyms: Pikamilone, Picamilon, Nicotinoyl-GABA sodium salt, CID3047131, LS-46432, N-Nicotinoyl-gamma-aminobutyric acid sodium salt, Monosodium 4-((3-pyridinylcarbonyl)amino)butanoate, N-(3-Pyridylcarbonyl)-4-aminobutyric acid sodium salt, Butanoic acid, 4-((3-pyridinylcarbonyl)amino)-, monosodium salt

Molecular Formula: C10H11N2NaO3Molecular Weight: 230.195710 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DGWZSECHAXUHPD-UHFFFAOYSA-M

• 3-Oxo-3-pyridin-3-yl-propionic acid ethyl ester
IUPAC Name: ethyl 3-oxo-3-pyridin-3-ylpropanoate | CAS Registry Number: 6283-81-4
Synonyms: NSC7725, ALBB-006289, NSC32400, CID222197, SBB010886, ZINC01688320, ethyl 3-oxo-3-pyridin-3-ylpropanoate, Pyridin-3-propionic acid, 3-oxo-, ethyl(ester), 3-Pyridinepropanoic acid, .beta.-oxo-, ethyl ester

Molecular Formula: C10H11NO3Molecular Weight: 193.199240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: APQGYFNHIWMRIJ-UHFFFAOYSA-N

• 7-Hydroxy-1-Tetralone
IUPAC Name: 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 22009-38-7
Synonyms: 7-Hydroxy-1-tetralone, 7-Hydroxy-3,4-dihydronaphthalen-1(2H)-one, 7-hydroxy-3,4-dihydro-2H-naphthalen-1-one, 7-Hydroxy-3,4-dihydro-1(2H)-naphthalenone, SureCN385554, AC1LC96V, AC1Q6J9D, CTK4E8236, MolPort-009-198-420, ANW-57846, AR-1H3582, AKOS006229303, AG-J-01237, MB01768, AK-34151, KB-46414, BB 0257319, 1(2H)-Naphthalenone,3,4-dihydro-7-hydroxy-, 7-HYDROXY-2,3,4-TRIHYDRONAPHTHALEN-1-ONE, A111176

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LGFSAJZSDNYVCW-UHFFFAOYSA-N

• 3-Ethoxy-4-methoxybenzaldehyde
IUPAC Name: 3-ethoxy-4-methoxybenzaldehyde | CAS Registry Number: 1131-52-8
Synonyms: 3-Ethoxy-p-anisaldehyde, NSC55839, 252751_SIAL, ALBB-001312, CID244728, STK013237, ZINC00161583, TL8000390

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VAMZHXWLGRQSJS-UHFFFAOYSA-N

• 4-N-Propylbenzoyl Chloride
IUPAC Name: 4-propylbenzoyl chloride | CAS Registry Number: 52710-27-7
Synonyms: p-Propylbenzoyl chloride, Benzoyl chloride, 4-propyl-, BTB09875, CID104293, ZINC02140819

Molecular Formula: C10H11ClOMolecular Weight: 182.646740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NZYPCJXREKMMCJ-UHFFFAOYSA-N

• 1,4-Diacetylbenzene
IUPAC Name: 1-(4-acetylphenyl)ethanone | CAS Registry Number: 1009-61-6
Synonyms: p-Diacetylbenzene, p-Acetylacetophenone, Benzene, p-diacetyl-, p-ACETYL ACETOPHENONE, D8208_ALDRICH, Benzene, p-diacetyl- (8CI), Ethanone, 1,1'-(1,4-phenylene)bis-, 1,1'-(1,4-phenylene)diethanone, 1,1-(1,4-Phenylene)bis-ethanone, EINECS 213-769-4, NSC295548, SBB008588, ZINC02026195, FR-2298, NSC 295548, 1,1'-(1,4-PHENYLENE)BISETHANONE, InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SKBBQSLSGRSQAJ-UHFFFAOYSA-N

• 1 Phenyl 3 Methyl 5 Pyrazolone
IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• 3-Amino-5-(4-methoxyphenyl)pyrazole
IUPAC Name: 5-(4-methoxyphenyl)-1H-pyrazol-3-amine | CAS Registry Number: 19541-95-8
Synonyms: 3-(4-methoxyphenyl)-1H-pyrazol-5-amine, 5-Amino-3-(4-methoxyphenyl)pyrazole, 5-(4-methoxyphenyl)-1H-pyrazol-3-amine, 3-Amino-5-(4-methoxyphenyl)-1H-pyrazole, 5-amino-3-(4-methoxyphenyl)-1h-pyrazole, 5-(4-Methoxy-phenyl)-2H-pyrazol-3-ylamine, AG-E-42844, 5-(4-methoxyphenyl)-2h-pyrazol-3-ylamine, ST51041782, 3-(4-methoxyphenyl)pyrazole-5-ylamine, PubChem12113, AC1MBTN8, SureCN167088, SureCN1143140, Oprea1_183823, 535370_ALDRICH, PYR146, CTK4E1749, CTK7A2883, MolPort-000-151-122

Molecular Formula: C10H11N3OMolecular Weight: 189.213840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UPAGEJODHNVJNM-UHFFFAOYSA-N

• 2,4,6-Trimethylbenzonitrile
IUPAC Name: 2,4,6-trimethylbenzonitrile | CAS Registry Number: 2571-52-0
Synonyms: Mesitonitrile, .beta.-Isodurylonitrile, Benzonitrile, 2,4,6-trimethyl-, ZINC02146835, CID137649, FR-0627, BBV-2064567, S01-0500, InChI=1/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SNIZBGQMWRHNDY-UHFFFAOYSA-N

• 1-Naphthylhydrazine hydrochloride
IUPAC Name: naphthalen-1-ylhydrazine hydrochloride | CAS Registry Number: 2243-56-3
Synonyms: Ambap664, NSC4158, NSC5527, CID519949, 1-Hydrazinonaphthalene monohydrochloride, .alpha.-Naphthylhydrazine monohydrochloride, TL8001879, Hydrazine, 1-naphthalenyl-, monohydrochloride

Molecular Formula: C10H11ClN2Molecular Weight: 194.660740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: FYSSYOCJFZSKNW-UHFFFAOYSA-N

• 4-(2-Methyl-1,3-thiazol-4-yl)phenylamine
IUPAC Name: 4-(2-methyl-1,3-thiazol-4-yl)aniline | CAS Registry Number: 25021-49-2
Synonyms: 2-Mapt, Oprea1_424013, ZERO/004655, 2-Methyl-4-(4-aminophenyl)thiazole, 2-Methyl-4-(para-aminophenyl)thiazole, CID152684, ZINC02455754, Benzenamine, 4-(2-methyl-4-thiazolyl)-, 4-(2-Methyl-thiazol-4-yl)-phenylamine, BAS 10155523

Molecular Formula: C10H10N2SMolecular Weight: 190.264800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JCRKEVDAEUPNAA-UHFFFAOYSA-N

• 6-Chloropurine riboside
IUPAC Name: (2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 2004-06-0
Synonyms: Chloropurine riboside, 6-Chloronebularine, 6-Chloropurinosine, 6-Chloropurine ribonucleoside, C8276_SIGMA, 852481_ALDRICH, EINECS 217-904-8, 6-Chloro-9-ribofuranosyl-9H-purine, AIDS022620, 9H-Purine, 6-chloro-9-ribofuranosyl-, AIDS-022620, NSC 4910, BRN 0040573, EINECS 226-438-4, ZINC00241780, 6-Chloropurine-9-beta-D-ribofuranoside, 6-Chloro-9-beta-D-ribofuranosyl-9H-purine, ST057090, TL806190, AI3-50219

Molecular Formula: C10H11ClN4O4Molecular Weight: 286.671740 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: XHRJGHCQQPETRH-KQYNXXCUSA-N

• 5-Acetyl-2,3-dihydrobenzo(B)furan
IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone | CAS Registry Number: 90843-31-5
Synonyms: Maybridge1_004802, ZINC04027271, CID145220, 1-(2,3-Dihydro-5-benzofuranyl)ethanone, 1-(2,3-dihydro-5-benzofuranyl)-ethanone, ST5407128

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MMVUJVASBDVNGJ-UHFFFAOYSA-N

• 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, α-amino-
IUPAC Name: 2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid | CAS Registry Number: 7303-50-6
Synonyms: Azatryptophan, 7-Azatryptophan, 7-aza-Tryptophan, dl-7-Azatryptophan, DL-7-Azatryptophan hydrate, A1632_SIGMA, NSC19495, NSC 19495, SBB005480, CID5354789, LS-139499, alpha-Amino-1H-pyrrolo(2,3-b)pyridine-3-propionic acid, 1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino- (9CI), 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, (-)-, 1H-Pyrrolo(2,3-b)pyridine-3-propionic acid, alpha-amino-, dl-, 1H-Pyrrolo[2,3-b]pyridine-3-propanoic acid, .alpha.-amino-, (-)-, 1H-Pyrrolo[2,3-b]pyridine-3-propionic acid, .alpha.-amino-, dl-, 1H-Pyrrolo(2,3-b)pyridine-3-propanoic acid, alpha-amino-, (+-)- (9CI)

Molecular Formula: C10H11N3O2Molecular Weight: 205.213240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: SNLOIIPRZGMRAB-UHFFFAOYSA-N

• 2-Methyl-3-Acetoxybenzoic Acid
IUPAC Name: 3-acetyloxy-2-methylbenzoic acid | CAS Registry Number: 168899-58-9
Synonyms: 3-Acetoxy-2-methylbenzoic acid, 2-Methyl-3-acetoxybenzoic acid, 3-acetyloxy-2-methylbenzoic acid, SBB063332, AMBA, AC1MXZKZ, ACMC-209dz2, AC1Q1L9V, SureCN6178884, KSC495O2N, 495255_ALDRICH, Jsp003420, CTK3J5726, 3-Acetoxy-2-Methyl-Benzoic Acid, MolPort-001-794-616, AC-594, ANW-22380, 3-(Acetyloxy)-2-methyl-benzoic Acid, AKOS015888713, AB07799

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LHVJUPHCLWIPLZ-UHFFFAOYSA-N

• 5-Benzylhydantoin
IUPAC Name: 5-(phenylmethyl)imidazolidine-2,4-dione | CAS Registry Number: 3530-82-3
Synonyms: Maybridge4_003425, Oprea1_159971, 5-benzyl-2,4-imidazolidinedione, AIDS019717, AIDS-019717, NSC30459, NSC50842, EINECS 222-563-3, NSC 30459, NSC 50842, RJC 02813, 5-(Phenylmethyl)imidazolidine-2,4-dione, NCGC00175858-01, 2,4-Imidazolidinedione, 5-(phenylmethyl)-, SR-01000642834-1

Molecular Formula: C10H10N2O2Molecular Weight: 190.198600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DBOMTIHROGSFTI-UHFFFAOYSA-N

• 4-Methyl-1,3,4,5-Tetrahydro-2H-1,5-Benzodiazepin-2-One
IUPAC Name: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one | CAS Registry Number: 3967-01-9
Synonyms: Maybridge1_000473, Oprea1_799819, MLS002607962, NSC36330, MolPort-000-141-562, NSC 36330, AIDS124518, AIDS-124518, BTB00610, CID19868, NSC69759, AKI-BBV-00007481, BRN 0166063, STK866163, LS-34348, SMR001335214, 4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 5-24-02-00516 (Beilstein Handbook Reference), AE-473/30685015, 4-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BBPWQLMHOSRDMA-UHFFFAOYSA-N

• 1-Fmoc-(S)-azetidine-2-carboxylic acid
IUPAC Name: (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)azetidine-2-carboxylate | CAS Registry Number: 136552-06-2
Synonyms: ZINC02379448, CID7009094

Molecular Formula: C19H16NO4-Molecular Weight: 322.334640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: BXRZCDISGRVJCA-KRWDZBQOSA-M

• 6-Morpholinonicotinic acid
IUPAC Name: 6-morpholin-4-ylpyridine-3-carboxylic acid | CAS Registry Number: 120800-52-4
Synonyms: 6-Morpholinonicotinic Acid, 6-morpholin-4-ylnicotinic acid, 6-morpholin-4-ylpyridine-3-carboxylic acid, 6-(morpholin-4-yl)pyridine-3-carboxylic acid, AG-D-45369, ZINC00158858, AC1MCQZL, PubChem19467, SureCN63778, ACMC-209a8e, 6-Morpholinonicotinic acid,, AC1Q73YI, AC1Q73YJ, Oprea1_188264, CTK0H3459, 6-Morpholin-4-yl-nicotinic acid, MolPort-000-142-557, BB_SC-4907, ANW-17532, AR3314

Molecular Formula: C10H12N2O3Molecular Weight: 208.213880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XXDSDFLDYNISKD-UHFFFAOYSA-N

• 4-Isopropoxybenzaldehyde
IUPAC Name: 4-propan-2-yloxybenzaldehyde | CAS Registry Number: 18962-05-5
Synonyms: NSC69072, ALBB-001159, CID250077, ZINC00162811, TL8001543, A3424/0145262

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WDANSDASCKBVKH-UHFFFAOYSA-N

• 4-tert-Butyl-1-chloro-2-nitrobenzene
IUPAC Name: 4-tert-butyl-1-chloro-2-nitrobenzene | CAS Registry Number: 58574-05-3
Synonyms: 1-tert-butyl-3-nitro-4-chlorobenzene, 1-tert-butyl-3-nitro-4-chloro benzene, PubChem4316, AGN-PC-00ITRN, SureCN1104675, KSC608K4N, CTK5A8546, MolPort-003-984-660, 4-Chloro-3-nitro-tert-butylbenzene, ACT12678, ANW-61684, SBB063678, ZINC21992134, AKOS015889693, AC-6122, AG-G-07397, AK-35760, I127, KB-40445, FT-0640538

Molecular Formula: C10H12ClNO2Molecular Weight: 213.660780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AGZGOTUKAZSIIO-UHFFFAOYSA-N

• 5,6,7,8-Tetrahydro-2-naphthol
IUPAC Name: 5,6,7,8-tetrahydronaphthalen-2-ol | CAS Registry Number: 1125-78-6
Synonyms: Tetralol, 6-Tetralinol, 6-Hydroxytetralin, ac-beta-Tetralol, Tetrahydro-.beta.-naphthol, 2-Naphthalenol, 5,6,7,8-tetrahydro-, NCIOpen2_000029, CCRIS 717, 180459_ALDRICH, 2-NAPHTHOL, 5,6,7,8-TETRAHYDRO-, 5,6,7,8-Tetrahydro-beta-naphthol, EINECS 214-410-4, NSC 65604, 5,6,7,8-Tetrahydro-2-hydroxynaphthalene, CID14305, NSC65604, 5,6,7,8-tetrahydronaphthalen-2-ol, BTB 10211, ZINC03861315, 5,6,7,8-Tetrahydro-2-naphthalenol

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UMKXSOXZAXIOPJ-UHFFFAOYSA-N

• 3' Acetamidoacetophenone
IUPAC Name: N-(3-acetylphenyl)acetamide | CAS Registry Number: 7463-31-2
Synonyms: 3-Acetylacetanilide, 3'-Acetamidoacetophenone, 3-Acetamidoacetophenone, N-(3-acetylphenyl)acetamide, 00188_FLUKA, NSC404340, CID346202, SBB005777, ZINC00363261, TL806426, AN-652/41025152

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AFZTYHRVDOKRKV-UHFFFAOYSA-N

• 3-(Dimethylamino)-1-(2-pyridyl)-2-propen-1-one
IUPAC Name: (E)-3-(dimethylamino)-1-pyridin-2-ylprop-2-en-1-one | CAS Registry Number: 66521-54-8
Synonyms: 3-(Dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one, (E)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one, (2E)-3-(dimethylamino)-1-(pyridin-2-yl)prop-2-en-1-one, AC1NSSFC, PubChem23485, SureCN1424, 1-(2-Pyridyl)-3-dimethylamino-2-propen-1-one, 511676_ALDRICH, MolPort-002-870-446, BB_SC-5687, ACN-P000955, BBL010461, CCG-42471, SBB083302, STK719875, ZINC00109815, AKOS002682439, 2-[3-(Dimethylamino)acryloyl]pyridine, ACN-000283, QC-4494

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BWERGHWJEBQNQV-SOFGYWHQSA-N

• 2,4-Dihydro-5-(4-methylphenyl)-3H-pyrazol-3-one
IUPAC Name: 3-(4-methylphenyl)-1,4-dihydropyrazol-5-one | CAS Registry Number: 66076-78-6
Synonyms: 2,4-DIHYDRO-5-(4-METHYLPHENYL)-3H-PYRAZOL-3-ONE, AGN-PC-00KKZB, CTK5C3475, AKOS004121316, AG-G-48911, KB-164773, 3H-Pyrazol-3-one, 2,4-dihydro-5-(4-methylphenyl)-, 3H-Pyrazol-3-one,2,4-dihydro-5-(4-methylphenyl)-

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DDFWVWUTJUSDMK-UHFFFAOYSA-N

• 7-Ethylindole
IUPAC Name: 7-ethyl-1H-indole | CAS Registry Number: 22867-74-9
Synonyms: 46086_FLUKA, ZINC02516806, SBB007573, CID2724711, E-7880

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PIIZLMYXLGYWTN-UHFFFAOYSA-N

• 2-Bromo-1-(2',4'-dimethoxyphenyl)ethanone
IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone | CAS Registry Number: 60965-26-6
Synonyms: 199486_ALDRICH, 2-Bromo-2',4'-dimethoxyacetophenone, EINECS 262-542-6, NSC158566, ZINC01606070, 2-Bromo-2',4'-dimethoxyacetopheneone, Ethanone, 2-bromo-1-(2,4-dimethoxyphenyl)-, ST5214015, 2-Bromo-1-(2,4-dimethoxyphenyl)ethan-1-one

Molecular Formula: C10H11BrO3Molecular Weight: 259.096540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PKVBZABQCCQHLD-UHFFFAOYSA-N

• 2',6'-Dimethoxyacetophenone
IUPAC Name: 1-(2,6-dimethoxyphenyl)ethanone | CAS Registry Number: 2040-04-2
Synonyms: 2,6-Dimethoxyacetophenone, 1-(2,6-DIMETHOXYPHENYL)ETHANONE, USAF K-2801, Acetophenone, 2',6'-dimethoxy-, 300748_ALDRICH, AIDS017985, EINECS 218-034-1, 1-(2,6-Dimethoxyphenyl)ethan-1-one, AIDS-017985, ALBB-006380, CID16267, BRN 2048976, ZINC00330167, Ethanone, 1-(2,6-dimethoxyphenyl)-, LS-13510, ST5331350, Ethanone, 1-(2,6-dimethoxyphenyl)- (9CI), 4-08-00-01811 (Beilstein Handbook Reference), AB-131/40897142

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XEUGKOFTNAYMMX-UHFFFAOYSA-N

• 4,5-Dimethoxy-2-nitrophenylacetic acid
IUPAC Name: 2-(4,5-dimethoxy-2-nitrophenyl)acetic acid | CAS Registry Number: 73357-18-3
Synonyms: Maybridge1_002500, CBMicro_008990, Oprea1_699681, MLS000779016, DivK1c_001252, NSC636871, AIDS136008, AIDS-136008, NSC114123, CDS1_000212, NCI60_012238, SMR000415770, BIM-0009233.P001, ST5109113, (4,5-Dimethoxy-2-nitro-phenyl)-acetic acid, SR-01000634345-1, (2-(Hydroxy(oxido)amino)-4,5-dimethoxyphenyl)acetic acid

Molecular Formula: C10H11NO6Molecular Weight: 241.197440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: WJPMJFUEMVXUCV-UHFFFAOYSA-N

• 4-(4-Bromophenyl)morpholine
IUPAC Name: 4-(4-bromophenyl)morpholine | CAS Registry Number: 30483-75-1
Synonyms: N-(4-Bromophenyl)morpholine, AG-F-00469, PubChem16733, ACMC-1CS6L, AGN-PC-00CV4Y, SureCN1515927, AMTH038, 4-(4'-bromophenyl)morpholine, 591777_ALDRICH, Jsp005749, Morpholine,4-(4-bromophenyl)-, CTK4G5280, MolPort-000-002-265, Morpholine, 4-(4-bromophenyl)-, ANW-26886, ZINC02526703, 4-(4-BROMOPHENYL)-MORPHOLINE, AKOS005254911, AC-3335, QC-4731

Molecular Formula: C10H12BrNOMolecular Weight: 242.112380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UJTKZWNRUPTHSB-UHFFFAOYSA-N

• 5-Hydroxy 1-tetralone
IUPAC Name: 5-hydroxy-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 28315-93-7
Synonyms: 5-Hydroxy-1-tetralone, 219975_ALDRICH, ZINC03861568, EINECS 248-958-0, CID119921, SDCCGMLS-0066118.P001, 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-, ST5406550, 3,4-Dihydro-5-hydroxy-1(2H)-naphthalenone, 1,2,3,4-Tetrahydro-5-hydroxynaphthalen-1-one

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YPPZCRZRQHFRBH-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride
IUPAC Name: 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | CAS Registry Number: 41994-51-8
Synonyms: Tic-AA, IFLab1_006055, ZERO/005048, NSC14794, EINECS 255-610-1, EINECS 266-580-4, NSC 14794, Tetrahydro-3-isoquinoline carboxylic acid, TL8000164, EU-0099971, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid, C078986, D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-, (1)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (S)-isomer, 35186-99-3, 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, (+-)-isomer

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWKMGYQJPOAASG-UHFFFAOYSA-N


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