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-(2,5-dimethylphenyl)acetamide
Catalog ID
STK886664
SMILES N#CC1=C(SCC(=O)Nc2cc(C)ccc2C)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/c1-21-11-12-22(2)28(17-21)35-30(38)20-40-33-26(18-34)31(32-27(36-33)9-6-10-29(32)37)24-13-15-25(16-14-24)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
LPPRIADKDWYVIE-UHFFFAOYSA-NSynonyms
370848-25-22((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(25dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(25dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(25dimethylphenyl)acetamide
370848252
CC1=CC(=C(C=C1)C)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
InChI=1SC33H31N3O3Sc121111222(2)28(1721)3530(38)20403326(1834)31(3227(3633)961029(32)37)24131525(161424)3919237435823h357811173136H69101920H212H3(H3538)
MFCD02999310
ZINC000002309668
ZINC000004648543
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