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Profile: The New Century Chemical & Pharmaceutical Enterprise offers 5-hydroxymethylfurfural, 2-methyl-2-propanethiol, ursolic acid, 2-formyl-3,4-dihydro-2H-pyran, 4-bromo-3-nitrobenzotrifluoride, 3-methoxy-5-(trifluoromethyl)aniline, 4-bromo-1-fluoro-2-nitrobenzene, artemisin and isonipecotic acid.

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• Acetylaconitine
Synonyms: Flaconitine, 3-Acetylaconitine, Aconitine 3-acetate, Aconitine 3-monoacetate, 78600-25-6 (hydrobromide), CID53595, Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 3,8-diacetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-, Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-benzoate 3,8-diacetate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

Molecular Formula: C36H49NO12Molecular Weight: 687.773760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 13

InChIKey: RIPYIJVYDYCPKW-WEVHBWGYSA-N

• Artemether
Synonyms: Coartem, beta-Artemether, Artemetheri, Artmether, Paluther, Qinghaosu, Artemos, Artenam, Mixture Name, Artemether [INN], Methyl-dihydroartemisinine, Artemetero [INN-Spanish], Artemetherum [INN-Latin], Artemisininelactol methyl ether, Dihydroartemisinin methyl ether, Dihydroquinghaosu methyl ether, MLS001424249, beta-Dihydroartemisinin methyl ether, HSDB 7456, SM 224

Molecular Formula: C16H26O5Molecular Weight: 298.374640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SXYIRMFQILZOAM-HVNFFKDJSA-N

• Artemisin
IUPAC Name: (3S,3aR,4S,5aS,9bS)-4-hydroxy-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione | CAS Registry Number: 481-05-0
Synonyms: CHEBI:360552, AIDS007795, AIDS-007795, CID65030, SRI-2813, C09344, 3a,5,5a,9b-Tetrahydro-4-hydroxy-3,5a,9-trimethylnaphtho[1,2- b]furan-2,8(3H,4H)-dione, (3S,3aR,4S,5aS,9bS)-4-Hydroxy-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydro-3H,4H-naphtho[1,2-b]furan-2,8-dione, Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-4-hydroxy-3,5a,9-trimethyl-, (3S-(3alpha,3aalpha,4alpha,5abeta,9bbeta))-

Molecular Formula: C15H18O4Molecular Weight: 262.301020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LUHMMHZLDLBAKX-DBIGVJDZSA-N

• Baccatine III
Synonyms: Baccatin III, Baccatin- III, B8154_SIGMA, CHEBI:32898, NSC 330753, ZINC04102268, LS-183707, C11900, 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha))-, [2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate

Molecular Formula: C31H38O11Molecular Weight: 586.626820 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: OVMSOCFBDVBLFW-VHLOTGQHSA-N

• Baicalein
IUPAC Name: 5,6,7-trihydroxy-2-phenylchromen-4-one | CAS Registry Number: 491-67-8
Synonyms: baicalein, 5,6,7-Trihydroxyflavone, Biacalein, Sho-saiko-to, nchembio.65-comp3, Spectrum_000427, Tocris-1761, SpecPlus_000758, Spectrum2_000466, Spectrum3_001608, Spectrum4_000537, Spectrum5_001418, Oprea1_765614, BSPBio_003215, KBioGR_001173, KBioSS_000907, DivK1c_006854, SPECTRUM1504002, SPBio_000572, NSC661431

Molecular Formula: C15H10O5Molecular Weight: 270.236900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: FXNFHKRTJBSTCS-UHFFFAOYSA-N

• Baicalin
IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid | CAS Registry Number: 21967-41-9
Synonyms: Baicalein 7-O-glucuronide, Baicalein-7-D-glucuronide, 572667_ALDRICH, CHEBI:2981, STOCK1N-21299, TJN-151, AIDS001402, 7-D-Glucuronic acid-5,6-dihydroxyflavone, AIDS-001402, CID64982, LS-71490, C10025, 5,6,7-Trihydroxyflavone-7-O-.beta.-D-glucopyranosideuronic acid, beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, 100647-26-5, 27462-75-5, 31564-28-0

Molecular Formula: C21H18O11Molecular Weight: 446.361020 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: IKIIZLYTISPENI-ZFORQUDYSA-N

• Benzene, 1-bromo-2-fluoro-4-nitro-
IUPAC Name: 1-bromo-2-fluoro-4-nitrobenzene | CAS Registry Number: 185331-69-5
Synonyms: 1-Bromo-2-fluoro-4-nitrobenzene, 4-Bromo-3-fluoronitrobenzene, 3-fluoro-4-bromonitrobenzene, benzene, 1-bromo-2-fluoro-4-nitro-, SBB063637, ZINC02563861, PubChem1045, AC1MBUU8, ACMC-1BYT6, SureCN286759, KSC495E5R, CTK3J5258, MolPort-000-152-085, ACN-S001690, ACT12593, ANW-23236, AKOS005063584, AKOS005254302, AC-4469, AG-E-34727

Molecular Formula: C6H3BrFNO2Molecular Weight: 219.995923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AZYQMHQOHNGPRR-UHFFFAOYSA-N

• Benzoic acid, 4-amino-3-methyl-, ethyl ester
IUPAC Name: ethyl 4-amino-3-methylbenzoate | CAS Registry Number: 40800-65-5
Synonyms: ethyl 4-amino-3-methylbenzoate, NSC136731, CID282796, TL8007243

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JUKRQDBAJXYXIR-UHFFFAOYSA-N

• Bromocyclobutane
IUPAC Name: bromocyclobutane | CAS Registry Number: 4399-47-7
Synonyms: Cyclobutyl bromide, 226998_ALDRICH, 16780_FLUKA, EINECS 224-530-9, InChI=1/C4H7Br/c5-4-2-1-3-4/h4H,1-3H

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KXVUSQIDCZRUKF-UHFFFAOYSA-N

• Cyclobutanecarbonyl chloride
IUPAC Name: cyclobutanecarbonyl chloride | CAS Registry Number: 5006-22-4
Synonyms: Cyclobutanecarboxylic acid chloride, C95706_ALDRICH, Cyclobutancarboxylic acid chloride, CID78705, NSC93778, EINECS 225-680-8, SBB007882, ZINC01609476, TL8003319

Molecular Formula: C5H7ClOMolecular Weight: 118.561480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JFWMYCVMQSLLOO-UHFFFAOYSA-N

• Cyclobutanecarboxylic Acid
IUPAC Name: cyclobutanecarboxylic acid | CAS Registry Number: 3721-95-7
Synonyms: Cyclobutylcarboxylic acid, CYCLOBUTANECARBOXYLIC ACID, C95609_ALDRICH, NSC 4535, 28661_FLUKA, EINECS 223-072-7, NSC4535, BRN 1816777, LS-55843, TL8002740, 4-09-00-00006 (Beilstein Handbook Reference), InChI=1/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: TXWOGHSRPAYOML-UHFFFAOYSA-N

• Cyclobutanedicarboxylic Acid
IUPAC Name: cyclobutane-1,1-dicarboxylic acid | CAS Registry Number: 5445-51-2
Synonyms: H2cbdca, 1,1-Cyclobutanedicarboxylic acid, Cyclobutane-1,1-dicarboxylic acid, C95803_ALDRICH, MLS001336051, MLS001336052, CHEBI:35691, 1,1-cyclobutane dicarboxylic acid, NSC22073, EINECS 226-651-2, NSC 22073, SMR000857344, TL806432, ST5308099, C-9000, InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10

Molecular Formula: C6H8O4Molecular Weight: 144.125320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: CCQPAEQGAVNNIA-UHFFFAOYSA-N

• Cyclopent-3-enecarboxylic acid
IUPAC Name: cyclopent-3-ene-1-carboxylate | CAS Registry Number: 7686-77-3
Synonyms: ZINC00396187, CID6950855

Molecular Formula: C6H7O2-Molecular Weight: 111.118580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XVSYDLITVYBCBD-UHFFFAOYSA-M

• Cyclopropane Carboxylic Acid
IUPAC Name: cyclopropanecarboxylic acid | CAS Registry Number: 1759-53-1
Synonyms: Carboxycyclopropane, Cyclopropionic acid, CYCLOPROPANECARBOXYLIC ACID, Cyclopropylcarboxylic acid, CPC-acid, Cyclopropanecarboxylate, Trimethylenecarboxylic acid, WLN: L3TJ AVQ, Cyclopropane carboxylic acid, Cyclopropane-carboxylic acid, C116602_ALDRICH, NSC1112, NSC 1112, CHEBI:23500, EINECS 217-162-5, AIDS017599, AIDS-017599, BRN 0969839, SBB008028, AI3-30542

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YMGUBTXCNDTFJI-UHFFFAOYSA-N

• Cyclopropanecarbonyl Chloride
IUPAC Name: cyclopropanecarbonyl chloride | CAS Registry Number: 4023-34-1
Synonyms: Cyclopropanecarbonyl chloride, Cyclopropane carbonyl chloride, Cyclopropylcarboxyl chloride, Cyclopropanecarboxylic acid chloride, C116807_ALDRICH, CID77637, EINECS 223-684-4, ZINC02242630

Molecular Formula: C4H5ClOMolecular Weight: 104.534900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZOOSILUVXHVRJE-UHFFFAOYSA-N

• Cyclosporin C
IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-[(1R)-1-hydroxyethyl]-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59787-61-0
Synonyms: [Thr2]CsA, AIDS108971, AIDS-108971, CID5287817, BMT-THR-SAR-MLE-VAL-MLE-ALA-DAL-MLE-MLE-MVA, Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-threonine-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]

Molecular Formula: C62H111N11O13Molecular Weight: 1218.610640 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 13

InChIKey: JTOKYIBTLUQVQV-QRVTZXGZSA-N

• Cyclosporin D
IUPAC Name: (5S,8S,11S,14R,17S,20S,23S,26S,32S)-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23,32-tri(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 63775-96-2
Synonyms: Cyclosporin A der., 4-Nitrosohydrochlorothiazide, Cyclosporin A, 7-L-valine-, AIDS081108, AIDS-081108, CID6436250

Molecular Formula: C63H113N11O12Molecular Weight: 1216.637820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: ZNVBEWJRWHNZMK-APUFIDQKSA-N

• Cyclosporine A
IUPAC Name: (2S,5S,8S,11S,14R,17S,20S,23S,26S,32S)-32-ethyl-2-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis(2-methylpropyl)-5,23-di(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecazacyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone | CAS Registry Number: 59865-13-3
Synonyms: cyclosporin A, cyclosporine, Ciclosporin, Cyclosporin, Sandimmune, Ramihyphin A, Sigmasporin, Consupren, Cyclokat, Mitogard, Neoplanta, Papilock, Pulminiq, Restasis, Sandimmun, Equoral, Gengraf, Vekacia, Neoral, Consupren S

Molecular Formula: C62H111N11O12Molecular Weight: 1202.611240 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 12

InChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-N

• Dichloropyridine Acid
IUPAC Name: 3,6-dichloropyridine-2-carboxylic acid | CAS Registry Number: 1702-17-6
Synonyms: Lontrel, Clopyralide, Huiloralid, Benzalox, Campaign, Cirtoxin, Cliophar, Matrigon, Transline, Versatill, Cyronal, Reclaim, Stinger, Format, Loncid, Shield, Crusader S, Clopiralid, CLOPYRALID, Lontrel L

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HUBANNPOLNYSAD-UHFFFAOYSA-N

• Dihydrothymine
IUPAC Name: 5-methyl-1,3-diazinane-2,4-dione | CAS Registry Number: 696-04-8
Synonyms: 5,6-Dihydrothymine, 5,6-Dihydro-5-methyluracil, Hydrouracil, 5-methyl-, DIHYDRO-THYMINE, 5-Methyl-5,6-dihydrouracil, CHEBI:27468, Hydrouracil, 5-methyl- (8CI), CID93556, NSC44131, EINECS 211-787-7, NSC 44131, 5-Methyldihydropyrimidine-2,4(1H,3H)-dione, 5,6-Dihydro-2,4-dihydroxy-5-methylpyrimidine, AI3-25480, ST5309383, 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl-, C00906, 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl- (9CI)

Molecular Formula: C5H8N2O2Molecular Weight: 128.129220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NBAKTGXDIBVZOO-UHFFFAOYSA-N

• Dimethyl 1,3-adamantanedicarboxylate
IUPAC Name: dimethyl adamantane-1,3-dicarboxylate | CAS Registry Number: 1459-95-6
Synonyms: dimethyl adamantane-1,3-dicarboxylate, NSC632548, SBB054054, ST50757659, DMADC, PubChem21522, AC1L7QEK, Maybridge3_000989, SureCN163027, Oprea1_551832, 340839_ALDRICH, AC1Q5Z16, CTK0H3537, MolPort-002-319-291, MolPort-008-155-667, HMS1433M21, AR-1I5619, CCG-48453, GEO-01144, STK366104

Molecular Formula: C14H20O4Molecular Weight: 252.306200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YXMDGBXGJKYMQL-UHFFFAOYSA-N

• Diphenoxy Benzene
IUPAC Name: 1,4-bis(phenoxy)benzene | CAS Registry Number: 3061-36-7
Synonyms: p-Diphenoxybenzene, Benzene, p-diphenoxy-, Benzene, 1,4-diphenoxy-, 1,4-Diphenoxybenzene, p-Phenoxyphenoxybenzene, 4-Phenoxydiphenyl oxide, Hydroquinone diphenyl ether, Oprea1_734594, CHEBI:39271, SBB007747, ZINC00157317, FR-0248, 1,1'-[1,4-phenylenebis(oxy)]dibenzene

Molecular Formula: C18H14O2Molecular Weight: 262.302560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UVGPELGZPWDPFP-UHFFFAOYSA-N

• Dodecyl Mercaptan
IUPAC Name: dodecane-1-thiol | CAS Registry Number: 112-55-0
Synonyms: n-Dodecanethiol, 1-DODECANETHIOL, Lauryl mercaptan, Dodecyl mercaptan, Dodecylmercaptan, n-Dodecyl mercaptan, Dodecane-1-thiol, N-Dodecylmercaptan, Pennfloat M, Pennfloat S, 1-Mercaptododecane, n-Lauryl mercaptan, Dodecanethiol, Lauryl mercaptide, Dodecyl thiol, 1-Dodecyl mercaptan, M-Lauryl mercaptan, M-Dodecyl mercaptan, Mercaptan C12, Isododecyl mercaptan

Molecular Formula: C12H26SMolecular Weight: 202.399840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WNAHIZMDSQCWRP-UHFFFAOYSA-N

• Ethyl 4-Bromobutyrate
IUPAC Name: ethyl 4-bromobutanoate | CAS Registry Number: 2969-81-5
Synonyms: Ethyl 4-bromobutyrate, Ethyl 4-bromobutanoate, BrCH2CH2CH2C(O)OC2H5, 167118_ALDRICH, EINECS 221-005-6, NSC133462, ZINC01720175, Butanoic acid, 4-bromo-, ethyl ester, NSC 133462, AI3-36601, Butanoic acid, 4-bromo-, ethyl ester (9CI), B-5800

Molecular Formula: C6H11BrO2Molecular Weight: 195.054340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XBPOBCXHALHJFP-UHFFFAOYSA-N

• Ethyl 4-Chlorobutyrate
IUPAC Name: ethyl 4-chlorobutanoate | CAS Registry Number: 3153-36-4
Synonyms: Ethyl 4-chlorobutyrate, ETHYL 4-CHLOROBUTANOATE, Ethyl gamma-chlorobutyrate, Ethyl .gamma.-chlorobutyrate, E16953_ALDRICH, Butyric acid, 4-chloro-, ethyl ester, 24020_FLUKA, Butanoic acid, 4-chloro-, ethyl ester, CID18474, NSC81215, EINECS 221-591-3, NSC 81215, ZINC01574312, Butyric acid, 4-chloro-, ethyl ester (8CI), Butanoic acid, 4-chloro-, ethyl ester (9CI), T5309690

Molecular Formula: C6H11ClO2Molecular Weight: 150.603340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OPXNFHAILOHHFO-UHFFFAOYSA-N

• Ethyl Malonic Acid
IUPAC Name: 2-ethylpropanedioic acid | CAS Registry Number: 601-75-2
Synonyms: ETHYLMALONIC ACID, Propanedioic acid, ethyl-, Malonic acid, ethyl-, Ambap2983, alpha-Carboxybutyric acid, 1,1-Propanedicarboxylic acid, .alpha.-Carboxybutyric acid, Malonic acid, ethyl- (8CI), 102687_ALDRICH, 04270_FLUKA, Propanedioic acid, ethyl- (9CI), CID11756, NSC96615, EINECS 210-007-2, NSC 96615, InChI=1/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9

Molecular Formula: C5H8O4Molecular Weight: 132.114620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: UKFXDFUAPNAMPJ-UHFFFAOYSA-N

• Ethyl Vinyl Sulfone
IUPAC Name: 1-ethylsulfonylethene | CAS Registry Number: 1889-59-4
Synonyms: Ethyl vinyl sulfone, (Ethylsulphonyl)ethylene, 282839_ALDRICH, EINECS 217-567-7, NSC186282, ZINC01731676, NSC 186282, InChI=1/C4H8O2S/c1-3-7(5,6)4-2/h3H,1,4H2,2H

Molecular Formula: C4H8O2SMolecular Weight: 120.170120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BJEWLOAZFAGNPE-UHFFFAOYSA-N

• Ethyl-8-Bromooctanoate
IUPAC Name: ethyl 8-bromooctanoate | CAS Registry Number: 29823-21-0
Synonyms: Ethyl 8-bromooctanoate, NCIOpen2_007067, 8-Bromooctanoic acid, ethyl ester, NSC100182

Molecular Formula: C10H19BrO2Molecular Weight: 251.160660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UBTQVPMVWAEGAC-UHFFFAOYSA-N

• Gardenoside
IUPAC Name: methyl (1S,4aS,7S,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylate | CAS Registry Number: 24512-62-7
Synonyms: CID442423, C09779

Molecular Formula: C17H24O11Molecular Weight: 404.365860 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: XJMPAUZQVRGFRE-AYDWLWLASA-N

• HATU
IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium | CAS Registry Number: 148893-10-1
Synonyms: ZINC00396137, CID4641409

Molecular Formula: C10H15N6O+Molecular Weight: 235.265700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WXIONIWNXBAHRU-UHFFFAOYSA-N

• Hexadecyl Mercaptan
IUPAC Name: hexadecane-1-thiol | CAS Registry Number: 2917-26-2
Synonyms: Cetyl mercaptan, n-Hexadecanethiol, Hexadecanethiol, Hexadecyl mercaptan, Cetylmercaptan, 1-HEXADECANETHIOL, n-Hexadecyl mercaptan, Mercaptan C16, H7637_ALDRICH, 674516_ALDRICH, 52270_FLUKA, AIDS018221, AIDS-018221, NSC57866, EINECS 220-846-6, NSC 57866, NSC229568, 22208-70-4

Molecular Formula: C16H34SMolecular Weight: 258.506160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ORTRWBYBJVGVQC-UHFFFAOYSA-N

• Hydroxyurea
IUPAC Name: hydroxyurea | CAS Registry Number: 127-07-1
Synonyms: hydroxyurea, Hydroxycarbamide, Hydrea, N-Hydroxyurea, Carbamoyl oxime, Litalir, Oxyurea, Droxia, Hydroxycarbamine, Onco-carbide, Biosupressin, Hydurea, Hidrix, Hydura, Hydroxicarbamidum, Urea, hydroxy-, Carbamyl hydroxamate, Carbamohydroxamic acid, Carbamohydroximic acid, Hydroxycarbamid

Molecular Formula: CH4N2O2Molecular Weight: 76.054660 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: VSNHCAURESNICA-UHFFFAOYSA-N

• Isobutyl Mercaptan
IUPAC Name: 2-methylpropane-1-thiol | CAS Registry Number: 513-44-0
Synonyms: Isobutyl mercaptan, Isobutanethiol, Isobutyl thiol, 1-Propanethiol, 2-methyl-, 2-Methylpropane-1-thiol, 2-METHYL-1-PROPANETHIOL, W387401_ALDRICH, 112917_ALDRICH, EINECS 208-162-6, BRN 1730890, LS-121038, 4-01-00-01605 (Beilstein Handbook Reference)

Molecular Formula: C4H10SMolecular Weight: 90.187200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: BDFAOUQQXJIZDG-UHFFFAOYSA-N

• Isonipecotic Acid
IUPAC Name: piperidine-4-carboxylic acid | CAS Registry Number: 498-94-2
Synonyms: Isonipecotic acid, 4-Piperidinecarboxylic acid, Hexahydroisonicotinic acid, 4-Carboxypiperidine, Piperidine-4-carboxylic acid, Isonicotinic acid, hexahydro-, 4-Hexahydroisonicotinic acid, Lopac-I18008, Acide isonipecotique [French], Piperidin-4-carboxylic acid, Lopac0_000705, I18008_ALDRICH, MLS000069407, 80650_FLUKA, EINECS 207-872-3, NSC 61049, NSC61049, BRN 0112553, SBB004231, Acide piperidine-carboxylique-4 [French]

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-N

• L-Tyrosine hydrochloride
IUPAC Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrochloride | CAS Registry Number: 16870-43-2
Synonyms: (S)-2-Amino-3-(4-hydroxyphenyl)propanoic acid hydrochloride, 3-(4-Hydroxyphenyl)-L-alanine hydrochloride, SureCN246905, T2006_SIGMA, T2025_SIGMA, CTK8B9064, MolPort-003-937-076, ANW-61925, AKOS015888439, AG-E-17991, AK-62832, KB-211111, L-+/-(1/2).O degrees +/->>u+/-uEa NIEaNI, I01-10215, 3-(4-oC>>u+/-(1/2)>>u)-L-+/-u degrees +/-Ea, L-Tyrosine,hydrochloride (9CI); Tyrosine, hydrochloride, L- (7CI,8CI); Tyrosinehydrochloride; Tyrosine hydrogen chloride

Molecular Formula: C9H12ClNO3Molecular Weight: 217.649480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 4

InChIKey: JJWFIVDAMOFNPS-QRPNPIFTSA-N

• Lycopene
IUPAC Name: (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene | CAS Registry Number: 502-65-8
Synonyms: LYCOPENE, Psi,psi-carotene, trans-Lycopene, prolycopene, all-trans-Lycopene, Lycopene 7, Lycopene (VAN), Natural yellow 27, Lycopene all-trans-, Ambap482, Lycopene, all-trans-, .psi.,.psi.-Carotene, CCRIS 7925, BSPBio_003389, L9879_SIGMA, Lycopene, all-trans- (8CI), CHEBI:15948, EINECS 207-949-1, NSC 407322, C40H56

Molecular Formula: C40H56Molecular Weight: 536.872640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OAIJSZIZWZSQBC-GYZMGTAESA-N

• Menthol Crystals
IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol | CAS Registry Number: 2216-51-5
Synonyms: l-Menthol, (-)-menthol, Levomenthol, Hexahydrothymol, Menthacamphor, Menthomenthol, l-(-)-Menthol, Racementhol, MENTHOL, Menthol natural, Menthol racemic, Racemic menthol, Peppermint camphor, rac-Menthol, dl-Menthol, U.S.P. Menthol, Menthol, l-, p-Menthan-3-ol, Headache crystals, d,l-Menthol

Molecular Formula: C10H20OMolecular Weight: 156.265200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NOOLISFMXDJSKH-KXUCPTDWSA-N

• Methyl 2-aminothiophene-3-carboxylate
IUPAC Name: methyl 2-aminothiophene-3-carboxylate | CAS Registry Number: 4651-81-4
Synonyms: Maybridge1_003714, Methyl 2-amino-3-thenoate, 563080_ALDRICH, methyl 2-aminothiophene-3-carboxylate, NSC523742, ALBB-002018, CID78381, EINECS 225-084-8, ZINC00115816, 4N-801, AI-942/25034264, SR-01000641729-1

Molecular Formula: C6H7NO2SMolecular Weight: 157.190280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DGGJQLCAYQCPDD-UHFFFAOYSA-N

• Methyl 2-bromothiazole-5-carboxylate
IUPAC Name: methyl 2-bromo-1,3-thiazole-5-carboxylate | CAS Registry Number: 54045-74-8
Synonyms: ZINC02510759, CID2773502, M2155G1

Molecular Formula: C5H4BrNO2SMolecular Weight: 222.059760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HNLVIKMXFBRZDF-UHFFFAOYSA-N

• Methyl 2-iodobenzoate
IUPAC Name: methyl 2-iodobenzoate | CAS Registry Number: 610-97-9
Synonyms: Methyl o-iodobenzoate, Methyl-2-iodobenzoate, 2-Iodobenzoic acid methyl ester, Benzoic acid, 2-iodo-, methyl ester, 532851_ALDRICH, NSC34638, EINECS 210-243-6, Benzoic acid, o-iodo-, methyl ester, NSC 34638, ZINC00159279, CD 04352, FS000324, AI3-11097, TL8003870, Benzoic acid, o-iodo-, methyl ester (8CI)

Molecular Formula: C8H7IO2Molecular Weight: 262.044450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BXXLTVBTDZXPTN-UHFFFAOYSA-N

• Methyl 3-Amino-4-Hydroxybenzoate
IUPAC Name: methyl 3-amino-4-hydroxybenzoate | CAS Registry Number: 536-25-4
Synonyms: Orthoform, Aminobenz, Orthocaine, Orthoderm, Methyl 3-amino-4-hydroxybenzoate, Methyl m-amino-p-hydroxybenzoate, Methyl 4-hydroxy-3-aminobenzoate, C8H9NO3, Methyl 4-amino-3-hydroxybenzoate, NSC 9813, EINECS 208-627-3, Methyl-3-amino-4-hydroxybenzoate, NSC9813, 3-Amino-4-hydroxybenzoic acid methyl ester, BRN 0608715, ZINC01428307, AI3-04738, BENZOIC ACID, 3-AMINO-4-HYDROXY-, METHYL ESTER, LS-35875, C14171

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VNQABZCSYCTZMS-UHFFFAOYSA-N

• Methyl 3-hydroxy-4-nitrobenzoate
IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate | CAS Registry Number: 713-52-0
Synonyms: NSC163972, CID294866, SBB002401, NCI60_001247

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: UEGCRFNWTGYVKX-UHFFFAOYSA-N

• Methyl 3-iodo-4-methoxybenzoate
IUPAC Name: methyl 3-iodo-4-methoxybenzoate | CAS Registry Number: 35387-93-0
Synonyms: CBiol_000897, 532568_ALDRICH, ICCB4_000193, NSC246065, ZINC00128850, TL 00305, Benzoic acid, 3-iodo-4-methoxy-, methyl ester

Molecular Formula: C9H9IO3Molecular Weight: 292.070430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GHNGBFHLUOJHKP-UHFFFAOYSA-N

• Methyl 3-methyl-2-furoate
IUPAC Name: methyl 3-methylfuran-2-carboxylate | CAS Registry Number: 6141-57-7
Synonyms: Methyl 3-methylfuroate, NCIOpen2_003734, 667986_ALDRICH, NSC508754, ZINC01081491, 2-Furoic acid, 3-methyl-, methyl ester, ST5307823, 2-Furancarboxylic acid, 3-methyl-, methyl ester, 3-Methylfuran-2-carboxylic acid methyl ester

Molecular Formula: C7H8O3Molecular Weight: 140.136620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AQQYRDKMXXSIMP-UHFFFAOYSA-N

• Methyl 4-(aminomethyl)benzoate
IUPAC Name: methyl 4-(aminomethyl)benzoate;hydrochloride | CAS Registry Number: 18469-52-8
Synonyms: Methyl 4-(aminomethyl)benzoate hydrochloride, 6232-11-7, Methyl 4-aminomethylbenzoate HCl, 4-(Aminomethyl)benzoate hydrochloride, SBB052372, Methyl 4-aminomethylbenzoate, 4-(Aminomethyl)benzoic Acid Methyl Ester Hydrochloride, methyl 4-(aminomethyl)benzoate, chloride, AC1MBPHC, PubChem24217, PubChem24218, AC1Q3BWC, ACMC-2097ix, SureCN210547, 479993_ALDRICH, CTK7E4394, MolPort-000-157-046, ANW-14023, CCG-45613, AKOS005255121

Molecular Formula: C9H12ClNO2Molecular Weight: 201.650080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GIZCKBSSWNIUMZ-UHFFFAOYSA-N

• Methyl 4-Amino-3-bromobenzoate
IUPAC Name: methyl 4-amino-3-bromobenzoate | CAS Registry Number: 106896-49-5
Synonyms: Methyl 4-amino-3-bromobenzoate, 655910_ALDRICH, ZERO/004654, ZINC01437415, D1359

Molecular Formula: C8H8BrNO2Molecular Weight: 230.058620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AIUWAOALZYWQBX-UHFFFAOYSA-N

• Methyl 4-amino-3-hydroxybenzoate
IUPAC Name: methyl 3-amino-4-hydroxybenzoate | CAS Registry Number: 63435-16-5
Synonyms: Orthoform, Aminobenz, Orthocaine, Orthoderm, Methyl 3-amino-4-hydroxybenzoate, Methyl m-amino-p-hydroxybenzoate, Methyl 4-hydroxy-3-aminobenzoate, C8H9NO3, NSC 9813, EINECS 208-627-3, Methyl-3-amino-4-hydroxybenzoate, NSC9813, 3-Amino-4-hydroxybenzoic acid methyl ester, BRN 0608715, ZINC01428307, AI3-04738, BENZOIC ACID, 3-AMINO-4-HYDROXY-, METHYL ESTER, LS-35875, C14171, 3-14-00-01477 (Beilstein Handbook Reference)

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VNQABZCSYCTZMS-UHFFFAOYSA-N

• Methyl 4-Amino-3-Methoxybenzoate
IUPAC Name: methyl 4-amino-3-methoxybenzoate | CAS Registry Number: 41608-64-4
Synonyms: Methyl 4-amino-3-methoxybenzoate, EINECS 255-456-5, CID602411, ZINC02566119, BBV-15979176, 4-Amino-3-methoxybenzoic acid methyl ester, TL8002999, Benzoic acid, 4-amino-3-methoxy-, methyl ester

Molecular Formula: C9H11NO3Molecular Weight: 181.188540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DJLFOMMCQBAMAA-UHFFFAOYSA-N

• Methyl 4-bromobutyrate
IUPAC Name: methyl 4-bromobutanoate | CAS Registry Number: 4897-84-1
Synonyms: EINECS 225-523-3, ZINC04284503, Butyric acid, 4-bromo-, methyl ester, Butanoic acid, 4-bromo-, methyl ester

Molecular Formula: C5H9BrO2Molecular Weight: 181.027760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QAWFLJGZSZIZHO-UHFFFAOYSA-N

• Methyl 4-chlorobutyrate
IUPAC Name: methyl 4-chlorobutanoate | CAS Registry Number: 3153-37-5
Synonyms: Methyl 4-chlorobutanoate, Ambap1435, Methyl omega-chlorobutyrate, Butanoic acid, 4-chloro-, methyl ester, M34804_ALDRICH, Methyl .omega.-chlorobutyrate, Butyric acid, 4-chloro-, methyl ester, NSC66271, EINECS 221-592-9, gamma-Chlorobutyric acid methyl ester, NSC 66271, ZINC01693788, .gamma.-Chlorobutyric acid methyl ester, Butyric acid, 4-chloro-, methyl ester (8CI), InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H

Molecular Formula: C5H9ClO2Molecular Weight: 136.576760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZZUYIRISBMWFMV-UHFFFAOYSA-N


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