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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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• 1-Ethynyl-4-methoxy-2-methylbenzene
IUPAC Name: 1-ethynyl-4-methoxy-2-methylbenzene | CAS Registry Number: 74331-69-4
Synonyms: AG-G-95357, 521191_ALDRICH, CTK5D9711, 1-ethynyl-4-methoxy-2-methyl-benzene, AKOS010651629, Benzene,1-ethynyl-4-methoxy-2-methyl-, KB-12154, FT-0641510, A838094, I01-17211, 1-Ethynyl-4-methoxy-2-methylbenzene;4-Methoxy-2-methylphenylacetylene;

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IETBNYUYILAKFK-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl) Piperazine
IUPAC Name: 1-(2,3-dichlorophenyl)piperazin-4-ium | CAS Registry Number: 41202-77-1
Synonyms: ZINC00386729, CID6950013

Molecular Formula: C10H13Cl2N2+Molecular Weight: 232.129620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UDQMXYJSNNCRAS-UHFFFAOYSA-O

• 2-Aminophenol hemisulfate salt
IUPAC Name: 2-aminophenol sulfate | CAS Registry Number: 67845-79-8
Synonyms: o-Aminophenol, hemisulfate, EINECS 267-335-4, Bis((2-hydroxyphenyl)ammonium) sulphate, Phenol, 2-amino-, sulfate (2:1) (salt)

Molecular Formula: C12H14N2O6S-2Molecular Weight: 314.314360 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: SHUIDGXTJAQFJO-UHFFFAOYSA-L

• 2',5'-Dimethylacetophenone
IUPAC Name: 1-(2,5-dimethylphenyl)ethanone | CAS Registry Number: 2142-73-6
Synonyms: 2,5-Dimethylacetophenone, Acetophenone, 2',5'-dimethyl-, Ethanone, 1-(2,5-dimethylphenyl)-, NSC6325, 454265_ALDRICH, CID75061, NSC 6325, EINECS 218-399-7, ZINC01693403, 1-(2,5-Dimethylphenyl)ethan-1-one, Acetophenone, 2',5'-dimethyl- (8CI), AI3-01857, ST5331352, InChI=1/C10H12O/c1-7-4-5-8(2)10(6-7)9(3)11/h4-6H,1-3H

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AWKBVLVKQQRRFQ-UHFFFAOYSA-N

• (S)-3-amino-4-(3-chloro-phenyl)-butyric acid HCl
IUPAC Name: (3S)-3-amino-4-(3-chlorophenyl)butanoic acid;hydrochloride | CAS Registry Number: 270596-38-8
Synonyms: (S)-3-AMINO-4-(3-CHLOROPHENYL)BUTANOIC ACID HYDROCHLORIDE, AC1MC58P, (S)-3-Amino-4-(3-chlorophenyl)butyric acid hydrochloride, MolPort-003-794-025, (3S)-3-amino-4-(3-chlorophenyl)butanoic Acid Hydrochloride, SBB064592, AKOS015890216, AK114880, KB-211428, TL8002181, I01-5195, (S)-3-Amino-4-(3-chloro-phenyl)-butyric acid hydrochloride

Molecular Formula: C10H13Cl2NO2Molecular Weight: 250.121720 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: MRFPEMYQUCEGDY-FVGYRXGTSA-N

• 3,5-Dimethoxyphenylacetonitrile
IUPAC Name: 2-(3,5-dimethoxyphenyl)acetonitrile | CAS Registry Number: 13388-75-5
Synonyms: (3,5-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxyphenylacetonitrile, 591149_ALDRICH, NSC245126, CID139445, SBB005899, ZINC00400318, TL8000012, AA-504/07219022, 93-17-4

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UUNRWZQWCNTSCV-UHFFFAOYSA-N

• 6-(1-Pyrrolidinyl)nicotinaldehyde
IUPAC Name: 6-pyrrolidin-1-ylpyridine-3-carbaldehyde | CAS Registry Number: 261715-39-3
Synonyms: 6-(1-PYRROLIDINYL)NICOTINALDEHYDE, 6-(pyrrolidin-1-yl)nicotinaldehyde, 6-(Pyrrolidin-1-yl)pyridine-3-carboxaldehyde, 6-(pyrrolidin-1-yl)pyridine-3-carbaldehyde, SBB052251, AG-E-81630, 6-PYRROLIDIN-1-YLNICOTINALDEHYDE, 6-(1-Pyrrolidino)pyridine-3-carboxaldehyde, 6-pyrrolidinylpyridine-3-carbaldehyde, AC1MDRVB, 6-pyrrolidin-1-ylpyridine-3-carbaldehyde, ACMC-1CG5Q, CTK4F7232, MolPort-000-145-204, ANW-66547, ZINC19850829, AKOS006228615, AB23069, MCULE-9646836882, RP23799

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

InChIKey: FFFAXGTZBUMKTI-UHFFFAOYSA-N

• (+)-Monocalciumbis{(3r,5s,6e)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolyl]-3,5-Dihydroxy-6-Heptenoate}
IUPAC Name: calcium (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate | CAS Registry Number: 147526-32-7
Synonyms: Livalo, Nisvastatin, Itavastatin, Pitavastatin, Pitavastatin calcium, Itavastatin calcium, Livalo (TN), Pitavastatin hemicalcium, Pitavastatin calcium (JAN), 2C25H23FNO4.Ca, NK 104, NK-104, NKS-104, CID5282451, LS-74595, D01862, P 872441, P-872441, 6-Heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (S-(R*,S*-(E)))-, Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate), monocalcium salt

Molecular Formula: C50H46CaF2N2O8Molecular Weight: 880.983646 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 12

InChIKey: RHGYHLPFVJEAOC-FFNUKLMVSA-L

• 4-(N-Cyclopropylaminocarbonyl)phenylboronic acid
IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]boronic acid | CAS Registry Number: 515140-26-8
Synonyms: BM408

Molecular Formula: C10H12BNO3Molecular Weight: 205.018180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: WCRPDYXXIVYAAJ-UHFFFAOYSA-N

• 2,3-Dimethylanisaldehyde
IUPAC Name: 4-methoxy-2,3-dimethylbenzaldehyde | CAS Registry Number: 38998-17-3
Synonyms: 2,3-Dimethyl-p-anisaldehyde, 152013_ALDRICH, 2,3-Dimethyl-para-anisaldehyde, 39551_FLUKA, ZINC02140937, 2,3-Dimethyl-4-methoxybenzaldehyde, EINECS 254-241-3, CID596058, Benzaldehyde, 4-methoxy-2,3-dimethyl-, InChI=1/C10H12O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-6H,1-3H

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

InChIKey: MAFDJCNDRCNZFM-UHFFFAOYSA-N

• 2-Ethyl-6-methylphenyl isocyanate
IUPAC Name: 1-ethyl-2-isocyanato-3-methylbenzene | CAS Registry Number: 75746-71-3
Synonyms: 1-ethyl-2-isocyanato-3-methylbenzene, AG-H-02022, ZINC00164843, ACMC-1BEKJ, AC1MC5LX, AC1Q2SW2, 478792_ALDRICH, 6-ethyl-2-methylbenzenisocyanate, CTK5E1947, MolPort-000-146-164, SBB087537, AKOS009158419, 1-ethyl-2-isocyanato-3-methyl-benzene, SB01845, Benzene,1-ethyl-2-isocyanato-3-methyl-, KB-68622, FT-0612256, A838502, I14-48850, 2-Ethyl-6-methylphenylisocyanate;6-Methyl-2-ethylphenyl isocyanate;

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YMAVXDRFOILNKI-UHFFFAOYSA-N

• 4-p-Tolyl thiazol-2-ylamine
IUPAC Name: 4-(4-methylphenyl)-1,3-thiazol-2-amine | CAS Registry Number: 2103-91-5
Synonyms: ChemDiv2_001239, Oprea1_047888, Oprea1_117699, 4-p-Tolyl-thiazol-2-ylamine, 534161_ALDRICH, ARONIS018863, 2-Amino-4-(p-tolyl)-thiazole, TOS-BB-1077, ZERO/000246, Thiazole, 2-amino-4-(p-tolyl)-, ALBB-000389, NSC54436, 4-(4-Methylphenyl)-2-thiazolamine, CID244066, ZINC00035879, ZINC00038083, 4-(4-methylphenyl)-1,3-thiazol-2-amine, BAS 05261426, EU-0079653, SR-01000596924-2

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

InChIKey: ARLHWYFAPHJCJT-UHFFFAOYSA-N

• 8-Hydroxyquinoline hemisulfate salt hemihydrate
IUPAC Name: quinolin-8-ol;sulfuric acid;hydrate | CAS Registry Number: 207386-91-2
Synonyms: 8-Quinolinol hemisulfate, 8-Quinolinol hemisulfate hemihydrate, 8-Quinolinol sulfate (2:1) monohydrate, AC1MC3NR, 108073_ALDRICH, CTK1A1768, AKOS015963177, quinolin-8-ol; sulfuric acid; hydrate, AG-E-52122, AC-19824, 8-Quinolinol, sulfate, hydrate (2:1:1), 8-Hydroxyquinoline sulfate 1-hydrate;8-Quinolinol hemisulfate hemihydrate;Oxine sulfate;

Molecular Formula: C18H18N2O7SMolecular Weight: 406.409720 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: BNCXJZDIJIVJJO-UHFFFAOYSA-N

• 1-Acetyl-6-aminoindoline
IUPAC Name: 1-(6-amino-2,3-dihydroindol-1-yl)ethanone | CAS Registry Number: 62368-29-0
Synonyms: NCIOpen2_001034, Oprea1_552062, A7675_SIGMA, NSC87623, CID258564, ZINC00153931

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LOZKZWIQDVEDCQ-UHFFFAOYSA-N

• 1-Aminoindan-1-Carboxylic Acid
IUPAC Name: 1-amino-2,3-dihydroindene-1-carboxylic acid | CAS Registry Number: 3927-71-7
Synonyms: 1-Aminoindan-1-carboxylic acid, NSC32833, AKE-BBV-089609, MolPort-000-000-519, CID233810, BBV-089609, A50023

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

InChIKey: HTTPGMNPPMMMOP-UHFFFAOYSA-N

• 2,3-Dimethoxy-6-formylbenzoic acid
IUPAC Name: 6-formyl-2,3-dimethoxybenzoic acid | CAS Registry Number: 519-05-1
Synonyms: Opianic acid, o-Veratric acid, 6-formyl-, Oprea1_163445, CBDivE_002320, NSC35546, 5,6-Dimethoxy-2-formylbenzoic acid, 5,6-Dimethoxyphthalaldehydic acid, AIDS012023, AIDS-012023, CID68210, EINECS 208-261-4, Benzoic acid, 6-formyl-2,3-dimethoxy-, NSC 35546, 6-Formyl- 2,3-dimethoxybenzoic acid, Phthalaldehydic acid, 5,6-dimethoxy-, ST5411471, Phthalaldehydic acid, 5,6-dimethoxy- (8CI), Benzoic acid, 6-formyl-2,3-dimethoxy- (9CI)

Molecular Formula: C10H10O5Molecular Weight: 210.183400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HVXXOIGTXJOVON-UHFFFAOYSA-N

• 4-Succinamidophenylboronic acid
IUPAC Name: 4-(4-boronoanilino)-4-oxobutanoic acid | CAS Registry Number: 480424-95-1
Synonyms: 578754_ALDRICH, BM085, N-(4-Phenylboronic)succinamic acid

Molecular Formula: C10H12BNO5Molecular Weight: 237.016980 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: VYUCUZOJUHAJLU-UHFFFAOYSA-N

• 5-Ethoxyindole
IUPAC Name: 5-ethoxy-1H-indole | CAS Registry Number: 10501-17-4
Synonyms: 5-ethoxy-1H-indole, AG-D-18104, PubChem8553, AC1NGORP, 1H-Indole, 5-ethoxy-, SureCN1196091, KSC174G9B, CTK0H4390, 5-Ethyloxyindole;1-Ethoxyindole;, MolPort-000-928-726, AM681, KUC107902N, ACT03558, ANW-50857, SBB087536, ZINC08325056, AKOS004116921, KSC-09-235, AK-21810, BR-21810

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

InChIKey: IEKPDICCMASELW-UHFFFAOYSA-N

• 3-(3-Chlorophenyl)thiomorpholine
IUPAC Name: 3-(3-chlorophenyl)thiomorpholine | CAS Registry Number: 864685-25-6
Synonyms: 3-(3-Chloro-phenyl)-thiomorpholine, FS011426

Molecular Formula: C10H12ClNSMolecular Weight: 213.726980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VWWOSKABRMUGCB-UHFFFAOYSA-N

• 3,5-Dimethyl-4-methoxybenzoic acid
IUPAC Name: 4-methoxy-3,5-dimethylbenzoic acid | CAS Registry Number: 21553-46-8
Synonyms: 3,5-Dimethyl-p-anisic acid, 638692_ALDRICH, EINECS 244-441-9, ST5308341

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WXVQURJGDUNJCS-UHFFFAOYSA-N

• 5-Oxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylic acid
IUPAC Name: 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid | CAS Registry Number: 175136-92-2
Synonyms: 5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid, SMR000036837, AC1LD9CW, Maybridge1_003341, AC1Q74PJ, SureCN2449353, Oprea1_047153, MLS000030408, STOCK3S-91973, CTK0H3445, HMS550P19, MolPort-000-144-305, HMS2443A14, CCG-48771, SBB045188, STK553787, AKOS000275363, AG-C-07157, MCULE-7605407320, SDCCGMLS-0001214.P002

Molecular Formula: C10H11NO3SMolecular Weight: 225.264240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HNEDKCTVOYJYQI-UHFFFAOYSA-N

• 2-Phenoxyisobutyricacid
IUPAC Name: 2-(phenoxy)butanoic acid | CAS Registry Number: 13794-14-4
Synonyms: 2-Phenoxybutyric acid, alpha-Phenoxybutyric acid, DL-2-Phenoxybutyric acid, Butyric acid, 2-phenoxy-, Butanoic acid, 2-phenoxy-, .alpha.-Phenoxybutyric acid, ARONIS009903, EINECS 237-449-9, BRN 2048912, SBB000214, LS-48142, 3-06-00-00616 (Beilstein Handbook Reference)

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TVSPPYGAFOVROT-UHFFFAOYSA-N

• (2R,3r)-Tartranilic Acid
IUPAC Name: (2R,3R)-4-anilino-2,3-dihydroxy-4-oxobutanoic acid | CAS Registry Number: 3019-58-7
Synonyms: (2R,3R)-Tartranilic Acid, (2R,3R)-Tartranilic Acid [for optical resolution], (2R,3R)-TartranilicAcid, PubChem8106, SureCN14715852, CTK8B3798, ANW-43211, SBB064737, AKOS000277299, AKOS015890174, AG-E-98994, T1702, I01-5572, (2R,3R)-2,3-Dihydroxy-3-(phenylcarbamoyl)propionic Acid, Butanoicacid, 2,3-dihydroxy-4-oxo-4-(phenylamino)-, [R-(R*,R*)]-; Tartranilic acid(8CI); (R,R)-Tartranilic acid

Molecular Formula: C10H11NO5Molecular Weight: 225.198040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: ZWXNRJCDXZFNLJ-HTQZYQBOSA-N

• 6-Morpholin-4-yl-pyridine-3-carbaldehyde
IUPAC Name: 6-morpholin-4-ylpyridine-3-carbaldehyde | CAS Registry Number: 173282-60-5
Synonyms: 6-Morpholinonicotinaldehyde, 6-morpholin-4-ylpyridine-3-carbaldehyde, 6-Morpholin-4-ylnicotinaldehyde, SBB052240, 6-(Morpholin-4-yl)pyridine-3-carboxaldehyde, AC1MCQZO, AC1Q6PTQ, CTK4D4575, MolPort-000-005-032, 6-(Morpholin-4-yl)nicotinaldehyde, ANW-74779, ZINC19851673, AKOS005070455, AB15699, AG-E-22774, RP03843, AK-28888, KB-45828, 6-(4-morpholinyl)-3-pyridinecarboxaldehyde, 6-(morpholin-4-yl)pyridine-3-carbaldehyde

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VZEANTSDLFVWCK-UHFFFAOYSA-N

• 4'-Ethoxyphenyl acetylene
IUPAC Name: 1-ethoxy-4-ethynylbenzene | CAS Registry Number: 79887-14-2
Synonyms: 4-ethoxyphenylacetylene, 1-ethoxy-4-ethynylbenzene, 1-ethoxy-4-ethynyl-benzene, 4'-Ethoxyphenylacetylene, 1-ethoxy-4-eth-1-ynylbenzene, SBB064838, AG-H-20196, ZINC02555802, p-ethoxyethynylbenzene, AC1MCPZY, 4-ethoxy phenyl acetylene, 1-ethynyl-4-ethoxybenzene, ACMC-20a2h1, 4-ethoxy-1-ethynyl-benzene, KSC493G5N, CTK3J3356, MolPort-001-761-972, ANW-54131, AKOS005146064, MCULE-2336333020

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FRGNOZUOTHMJSC-UHFFFAOYSA-N

• 6-Methylchromanone
IUPAC Name: 6-methyl-2,3-dihydrochromen-4-one | CAS Registry Number: 39513-75-2
Synonyms: 6-Methyl-4-chromanone, 6-methylchroman-4-one, 6-Methyl-2,3-dihydro-4H-chromen-4-one, SBB063797, AC1LBKMY, PubChem17932, ACMC-1CTTD, AC1Q2OBE, AC1Q6DTO, SureCN68886, 156728_ALDRICH, MolPort-001-793-702, 6-methyl-2,3-dihydrochromen-4-one, ANW-29111, AR-1H2147, STL301228, ZINC12462557, AKOS005146435, MCULE-3241722945, AK-50834

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

InChIKey: RJHXEPLSJAVTFW-UHFFFAOYSA-N

• 3-(3-Methylphenyl)propionic acid
IUPAC Name: 3-(3-methylphenyl)propanoic acid | CAS Registry Number: 3751-48-2
Synonyms: 3-Methylhydrocinnamic acid, 656178_ALDRICH, Propionic acid, 3-[3-methylphenyl]-, FS000856

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

InChIKey: VWXVTHDQAOAENP-UHFFFAOYSA-N

• 7-TMCA
IUPAC Name: 7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 24209-38-9
Synonyms: CID91136, EINECS 246-078-1, BAS 06290984, ST5303547, TL8001992, (6R-trans)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-

Molecular Formula: C10H12N6O3S2Molecular Weight: 328.370680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XUTQHTOXGKVJPN-UHFFFAOYSA-N

• 7-apca
IUPAC Name: (6R,7R)-7-amino-8-oxo-3-prop-1-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 120709-09-3
Synonyms: CTK0H2639, CTK0H4930, (6R,7R)-7-Amino-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 106447-44-3, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propen-1-yl)-, (6R,7R)-, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1Z)-1-propen-1-yl-, (6R,7R)-, AG-D-20849, AG-D-45181, KB-209054, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propenyl)-, (6R,7R)- (9CI);7 APCA;, 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-8-oxo-3-(1-propenyl)-, [6R-[3(Z),6a,7b]]-; 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-8-oxo-3-(1Z)-1-propenyl-, (6R,7R)- (9CI)

Molecular Formula: C10H12N2O3SMolecular Weight: 240.278880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ZYLDQHILNOZKIF-HZGVNTEJSA-N

• 2-(4-Morpholinyl)-pyridine-4-carboxylic acid
IUPAC Name: 2-morpholin-4-ylpyridine-4-carboxylic acid | CAS Registry Number: 295349-64-3
Synonyms: 2-morpholin-4-ylisonicotinic acid, 2-Morpholin-4-yl-isonicotinic acid, ALBB-005463, ZERO/009231, ZINC02524958, BAS 07756286

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

InChIKey: OVOIVNZYILYGKU-UHFFFAOYSA-N

• 5-Hydroxy-2-tetralone
IUPAC Name: 5-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 35697-10-0
Synonyms: 5-Hydroxy-3,4-dihydronaphthalen-2(1H)-one, 5-hydroxy-3,4-dihydro-1H-naphthalen-2-one, AC1NNX9G, SureCN266203, 5-HYDROXYL-2-TETRALONE, Jsp006414, CTK4H5187, MolPort-000-139-982, ANW-50838, WTI-10067, ZINC30678464, AKOS006295145, AG-F-23910, MB03115, AK-26087, BR-26087, KB-73532, AB1008054, FT-0645258, ST51054336

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

InChIKey: SPOWVZSMEMISBG-UHFFFAOYSA-N

• 1-(2,3-Dichlorophenyl)piperazine hydrochloride
IUPAC Name: 1-(2,3-dichlorophenyl)piperazine;hydrochloride | CAS Registry Number: 119532-26-2
Synonyms: 41202-77-1, 1-(2,3-Dichlorophenyl)piperazine monohydrochloride, SBB003054, 1-(2,3-Dichlorophenyl)-piperazine hydrochloride, 1-(2,3-dichlorophenyl)-piperazine monohydrochloride, (2,3-dichlorophenyl)piperazine, chloride, zlchem 392, PubChem8589, SureCN246338, AGN-PC-00D0JT, ACMC-209a34, 679135_ALDRICH, CTK0H4814, ZLC0238, MolPort-001-769-710, ACN-S002575, ACN-S002576, ACT02157, ANW-17342, FC0193

Molecular Formula: C10H13Cl3N2Molecular Weight: 267.582620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CYQFNNSFAGXCEC-UHFFFAOYSA-N

• 2-Morpholin-4-yl-pyridine-3-carbaldehyde
IUPAC Name: 2-morpholin-4-ylpyridine-3-carbaldehyde | CAS Registry Number: 465514-09-4
Synonyms: 2-Morpholinonicotinaldehyde, 2-morpholin-4-ylpyridine-3-carbaldehyde, 2-MORPHOLIN-4-YL-PYRIDINE-3-CARBALDEHYDE, F9995-1195, AC1MCR2G, 2-morpholin-4-ylnicotinaldehyde, CTK4I9445, MolPort-000-142-735, SBB091435, ZINC19851688, 2-Morpholinopyridine-3-carboxaldehyde, AKOS005070067, AG-F-59768, MCULE-6966379469, RP03846, BP-10861, KB-69082, 2-Morpholin-4-ylpyridine-3-carboxaldehyde, 2-(morpholin-4-yl)pyridine-3-carbaldehyde, 3-Pyridinecarboxaldehyde,2-(4-morpholinyl)-

Molecular Formula: C10H12N2O2Molecular Weight: 192.214480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CCPVZIBHRFCNTR-UHFFFAOYSA-N

• 6-Methoxy-3,4-Dihydro-2(1h)-Quinolinone
IUPAC Name: 6-methoxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 54197-64-7
Synonyms: 6-methoxy-3,4-dihydro-1H-quinolin-2-one, 6-Methoxy-3,4-dihydro-2(1H)-quinolinone, 6-methoxy-3,4-dihydroquinolin-2(1H)-one, 6-Methoxy-2-oxo-1,2,3,4-tetrahydroquiniline, 2(1H)-QUINOLINONE, 3,4-DIHYDRO-6-METHOXY-, AGN-PC-0CYPLE, SureCN1764375, CHEMBL102738, CTK4J9958, MolPort-001-770-973, ANW-73705, OR9941, ZINC03880893, AKOS006344957, AC-6189, AG-F-87437, MB02321, 6-methoxy-3,4-dihydro-2(1h)quinolinone, AK-30530, AM807256

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

InChIKey: XHKXYVRULOMTOW-UHFFFAOYSA-N

• 4-Tert-Butyl-2,6-dinitrophenol
IUPAC Name: 4-tert-butyl-2,6-dinitrophenol | CAS Registry Number: 4097-49-8
Synonyms: 2,6-Dinitro-4-tert-butylphenol, 4-tert-Butyl-2,6-dinitrophenol, 2,6-Dinitro-p-(tert-butyl)phenol, NSC21491, EINECS 223-856-9, Phenol, 4-tert-butyl-2,6-dinitro-, Phenol, 4-(1,1-dimethylethyl)-2,6-dinitro-, 4-(TERT-BUTYL)-2,6-DINITROPHENOL, AI3-19044, InChI=1/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H

Molecular Formula: C10H12N2O5Molecular Weight: 240.212680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NJBDTWSOYUZQPM-UHFFFAOYSA-N

• 2-Methylcinnamic acid
IUPAC Name: (E)-3-(2-methylphenyl)prop-2-enoic acid | CAS Registry Number: 2373-76-4
Synonyms: o-Methylcinnamic acid, 433101_ALDRICH, 3-(2-methylphenyl)acrylic acid, ALBB-007550, NSC99069, EINECS 219-150-5, CID819020, SBB003946, (2E)-3-(2-methylphenyl)acrylic acid, (E)-3-(2-Methylphenyl)-2-propenoic acid, IVK/4021411, 2-Methylcinnamic acid, predominantly trans, AI-942/25034752, 939-57-1

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

InChIKey: RSWBWHPZXKLUEX-VOTSOKGWSA-N

• 4-(1H-Pyrrol-1-yl)aniline
IUPAC Name: 4-pyrrol-1-ylaniline | CAS Registry Number: 52768-17-9
Synonyms: ZINC00159039, 4-pyrrolylphenylamine, 4-pyrrol-1-ylaniline, AC1MDTEX, 4-Pyrrol-1-yl-aniline, 4-(pyrrol-1-yl)aniline, SureCN296099, MolPort-000-142-760, ANW-56104, BBL009666, SBB076582, STL141016, AKOS000345098, AC-7271, AG-L-63872, CC25514, MCULE-5668369673, RP02028, SDCCGMLS-0066061.P001, AK-35497

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NHLHWHRXMZZWGA-UHFFFAOYSA-N

• 3-(4-Methoxyphenyl)propionyl chloride
IUPAC Name: 3-(4-methoxyphenyl)propanoyl chloride | CAS Registry Number: 15893-42-2
Synonyms: 3-(4-methoxyphenyl)propanoyl chloride, ACMC-20anjm, AC1Q4CHD, 4-methoxy-chloropropiophenone;, Jsp003154, CTK0H4364, MolPort-001-792-803, ZINC02578899, AKOS009215874, AG-B-02672, 3-(4-methoxyphenyl)-propionyl chloride, L366, KB-178201, I14-41782, F2190-0137

Molecular Formula: C10H11ClO2Molecular Weight: 198.646140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FQVJPHCAWYRYCK-UHFFFAOYSA-N

• 3-(Benzyloxy)propionitrile
IUPAC Name: 3-(phenylmethoxy)propanenitrile | CAS Registry Number: 6328-48-9
Synonyms: 3-(Benzyloxy)propiononitrile, Propanenitrile, 3-(phenylmethoxy)-, NSC43693, EINECS 228-698-4, NSC 43693, BBV-061710

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IOFHIWGGQITXMV-UHFFFAOYSA-N

• 5-aminoquinaldine
IUPAC Name: 2-methylquinolin-5-amine | CAS Registry Number: 54408-50-3
Synonyms: 2-Methyl-5-quinolinamine, 2-Methyl-quinolin-5-ylamine, 5-Quinolinamine, 2-methyl-, ZINC00171344, BAS 12229863, ST5160347

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UNSLQFMTPYHZDA-UHFFFAOYSA-N

• (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methylamine
IUPAC Name: (5-methyl-2-phenyltriazol-4-yl)methanamine | CAS Registry Number: 105362-45-6
Synonyms: 2H-1,2,3-Triazole-4-methanamine,5-methyl-2-phenyl-, SDCCGMLS-0065991.P001, AC1MCQZC, ACMC-20m86d, SureCN3507658, CTK4A3771, MolPort-000-142-545, SBB090822, AKOS006227829, AG-D-18746, CC16213, RP03603, AK-55378, KB-02175, (5-methyl-2-phenyltriazol-4-yl)methanamine, FT-0604823, (5-methyl-2-phenyl-1,2,3-triazol-4-yl)methanamine, (5-methyl-2-phenyl-1,2,3-triazol-4-yl)methylamine, I14-35269, (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine

Molecular Formula: C10H12N4Molecular Weight: 188.229080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NUKMUNLDDAJKOE-UHFFFAOYSA-N

• 3,5-Dimethyl-4-hydroxyacetophenone
IUPAC Name: 1-(4-hydroxy-3,5-dimethylphenyl)ethanone | CAS Registry Number: 5325-04-2
Synonyms: Ambap3729, NSC109, 546402_ALDRICH, CID36581, 4'-Hydroxy-3',5'-dimethylacetophenone, 4'-HYDROXY-3',5'-DIMETHYL-ACETOPHENONE

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

InChIKey: MUWPKXVVEOGKNO-UHFFFAOYSA-N

• 3,5-Dimethylphenylacetic acid
IUPAC Name: 2-(3,5-dimethylphenyl)acetate | CAS Registry Number: 42288-46-0
Synonyms: ZINC02572191, CID7021478

Molecular Formula: C10H11O2-Molecular Weight: 163.193140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HDNBKTWQBJJYPD-UHFFFAOYSA-M

• 1-(2,4-Difluorophenyl)piperazine
IUPAC Name: 1-(2,4-difluorophenyl)piperazine | CAS Registry Number: 115761-79-0
Synonyms: 1-(2,4-Difluorophenyl)-piperazine, SBB016948

Molecular Formula: C10H12F2N2Molecular Weight: 198.212486 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CMCSPBOWEYUGHB-UHFFFAOYSA-N

• 2-Ethoxyphenylacetic acid
IUPAC Name: 2-(2-ethoxyphenyl)acetic acid | CAS Registry Number: 70289-12-2
Synonyms: Acetic acid, o-ethoxyphenyl-, Acetic acid, o-ethoxyphenyl-,, o-ETHOXY PHENYL ACETIC ACID, NSC165611

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ABROWERIMKBDEW-UHFFFAOYSA-N

• 6-Morpholinonicotinoyl Chloride
IUPAC Name: 6-morpholin-4-ylpyridine-3-carbonyl chloride | CAS Registry Number: 313350-36-6
Synonyms: 6-morpholin-4-ylpyridine-3-carbonyl Chloride, 6-(Morpholin-4-yl)nicotinoyl chloride, AC1MCQZM, AC1Q3G6U, CTK1C1831, MolPort-000-142-558, SBB097042, ZINC19851668, AG-A-90645, CC17502, BL009078, BP-10027, KB-84663, FT-0082430, FT-0621259, 4-[5-(Chlorocarbonyl)pyridin-2-yl]morpholine, 3-(Chlorocarbonyl)-6-(morpholin-4-yl)pyridine, 6-(4-morpholinyl)-3-pyridinecarbonyl chloride, 3-Pyridinecarbonylchloride, 6-(4-morpholinyl)-, 6-(Morpholin-4-yl)pyridine-3-carbonyl chloride

Molecular Formula: C10H11ClN2O2Molecular Weight: 226.659540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CUYODHVYKUWKCO-UHFFFAOYSA-N

• 6-Hydroxyl-2-tetralone
IUPAC Name: 6-hydroxy-3,4-dihydro-1H-naphthalen-2-one | CAS Registry Number: 52727-28-3
Synonyms: 6-HYDROXY-2-TETRALONE, 6-Hydroxy-3,4-dihydronaphthalen-2(1H)-one, 6-hydroxy-3,4-dihydro-1H-naphthalen-2-one, SBB056305, AG-F-80044, 6-hydroxy-1,3,4-trihydronaphthalen-2-one, 6-Hydroxy-2-oxo-1,2,3,4-tetrahydronaphthalene, AC1NDHHZ, SureCN266510, CTK4J6358, MolPort-009-197-055, ANW-49233, ZINC04203671, AKOS015901851, MB03486, RP22526, AK-28510, BR-28510, KB-45549, W6735

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

InChIKey: RRWJKWKHVNDLOY-UHFFFAOYSA-N

• 2,5-Dimethylphenylacetic acid
IUPAC Name: 2-(2,5-dimethylphenyl)acetic acid | CAS Registry Number: 13612-34-5
Synonyms: 2,5-Xylylacetic acid, (2,5-dimethylphenyl)acetic acid, EINECS 237-097-6, 2,5-DIMETHYLPHENYLACETIC ACID, ST5407852

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

InChIKey: RUSCTNYOPQOXDJ-UHFFFAOYSA-N

• (4-Bromophenyl)(cyclopropyl)methanol
IUPAC Name: (4-bromophenyl)-cyclopropylmethanol | CAS Registry Number: 70289-39-3
Synonyms: Maybridge1_000148, MixCom1_000280, EINECS 274-546-5, p-Bromo-alpha-cyclopropylbenzyl alcohol, Benzenemethanol, 4-bromo-.alpha.-cyclopropyl-, ST5443612, SR-01000643790-1

Molecular Formula: C10H11BrOMolecular Weight: 227.097740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PLVQKMYLBFYJHT-UHFFFAOYSA-N

• 4-Amino-6,7-dimethoxyquinazoline
IUPAC Name: 6,7-dimethoxyquinazolin-4-amine | CAS Registry Number: 21575-13-3
Synonyms: 6,7-dimethoxyquinazolin-4-amine, AG-E-58103, zlchem 1037, AGN-PC-00KONW, SureCN3166753, 6,7-dimethoxy-4-quinazolinamine, CTK4E7169, ZLD0503, MolPort-000-614-627, 4-Quinazolinamine,6,7-dimethoxy-, 4-Quinazolinamine, 6,7-dimethoxy-, SBB070429, ZINC05511144, AKOS002364349, AK114713, AM100512, N749, KB-141417, KB-189227, TL8001792

Molecular Formula: C10H11N3O2Molecular Weight: 205.213240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MGHPNHISKDKRJW-UHFFFAOYSA-N


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