Vitas-M small molecule compound
2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK886405
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)OC
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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 C29H31N3O4S MW 517.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O4S/c1-5-36-21-12-8-19(9-13-21)31-25(34)17-37-28-22(16-30)26(18-6-10-20(35-4)11-7-18)27-23(32-28)14-29(2,3)15-24(27)33/h6-13,26,32H,5,14-15,17H2,1-4H3,(H,31,34)InChIKey
IELRFTCGAHTHSI-UHFFFAOYSA-NSynonyms
799817-18-82((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(4ethoxyphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
799817188
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)OC)C#N
InChI=1SC29H31N3O4Sc15362112819(91321)3125(34)17372822(1630)26(1861020(354)11718)2723(3228)1429(23)1524(27)33h6132632H5141517H214H3(H3134)
MFCD03681172
ZINC000013297901
ZINC000013297916
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