Vitas-M small molecule compound
N-(4-acetylphenyl)-2-({4-[4-(benzyloxy)phenyl]-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)acetamide
Catalog ID
STK827113
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)C(=O)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 C33H29N3O4S MW 563.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29N3O4S/c1-21(37)23-10-14-25(15-11-23)35-30(39)20-41-33-27(18-34)31(32-28(36-33)8-5-9-29(32)38)24-12-16-26(17-13-24)40-19-22-6-3-2-4-7-22/h2-4,6-7,10-17,31,36H,5,8-9,19-20H2,1H3,(H,35,39)InChIKey
CZAQZILFTQOQAV-UHFFFAOYSA-NSynonyms
CC(=O)C1=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
InChI=1SC33H29N3O4Sc121(37)23101425(151123)3530(39)20413327(1834)31(3228(3633)85929(32)38)24121626(171324)4019226324722h246710173136H5891920H21H3(H3539)
MFCD02999664
N(4acetylphenyl)2((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)acetamide
N(4acetylphenyl)2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
N(4acetylphenyl)2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)acetamide
ZINC000102809079
ZINC000102809082
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