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-(2,3-dimethylphenyl)acetamide
Catalog ID
STK538621
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2C)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/c1-21-8-6-11-27(22(21)2)35-30(38)20-40-33-26(18-34)31(32-28(36-33)12-7-13-29(32)37)24-14-16-25(17-15-24)39-19-23-9-4-3-5-10-23/h3-6,8-11,14-17,31,36H,7,12-13,19-20H2,1-2H3,(H,35,38)InChIKey
AHHWGCPEQZMMSY-UHFFFAOYSA-NSynonyms
370845-04-82((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(23dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(23dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(23dimethylphenyl)acetamide
370845048
CC1=C(C(=CC=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N)C
InChI=1SC33H31N3O3Sc121861127(22(21)2)3530(38)20403326(1834)31(3228(3633)1271329(32)37)24141625(171524)39192394351023h3681114173136H712131920H212H3(H3538)
MFCD02999196
ZINC000100800235
ZINC000100800237
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