Vitas-M small molecule compound
2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide
Catalog ID
STK886670
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2C)C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)C(=O)CCC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C33H31N3O3S MW 549.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O3S/c1-21-11-16-27(22(2)17-21)35-30(38)20-40-33-26(18-34)31(32-28(36-33)9-6-10-29(32)37)24-12-14-25(15-13-24)39-19-23-7-4-3-5-8-23/h3-5,7-8,11-17,31,36H,6,9-10,19-20H2,1-2H3,(H,35,38)InChIKey
ZBGKIQNLBVVBSV-UHFFFAOYSA-NSynonyms
369396-02-12((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(24dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(24dimethylphenyl)acetamide
369396021
CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N)C
InChI=1SC33H31N3O3Sc121111627(22(2)1721)3530(38)20403326(1834)31(3228(3633)961029(32)37)24121425(151324)3919237435823h357811173136H69101920H212H3(H3538)
MFCD03000294
ZINC000002310975
ZINC000002310976
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