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-(2,6-dimethylphenyl)acetamide
Catalog ID
STK538663
SMILES N#CC1=C(SCC(=O)Nc2c(C)cccc2C)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/c1-21-8-6-9-22(2)32(21)36-29(38)20-40-33-26(18-34)30(31-27(35-33)12-7-13-28(31)37)24-14-16-25(17-15-24)39-19-23-10-4-3-5-11-23/h3-6,8-11,14-17,30,35H,7,12-13,19-20H2,1-2H3,(H,36,38)InChIKey
DQYHJZSIHZNYMC-UHFFFAOYSA-NSynonyms
383892-13-52((3cyano5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinolin2yl)sulfanyl)N(26dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)sulfanyl)N(26dimethylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano5oxo145678hexahydroquinolin2yl)thio)N(26dimethylphenyl)acetamide
383892135
CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C#N
InChI=1SC33H31N3O3Sc12186922(2)32(21)3629(38)20403326(1834)30(3127(3533)1271328(31)37)24141625(171524)391923104351123h3681114173035H712131920H212H3(H3638)
MFCD03000492
ZINC000002311222
ZINC000002311223
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