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-(propan-2-yl)phenyl]acetamide
Catalog ID
STK886689
SMILES COc1ccc(cc1)C1C(=C(SCC(=O)Nc2ccc(cc2)C(C)C)NC2=C1C(=O)CC(C2)(C)C)C#N
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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 C30H33N3O3S MW 515.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O3S/c1-18(2)19-6-10-21(11-7-19)32-26(35)17-37-29-23(16-31)27(20-8-12-22(36-5)13-9-20)28-24(33-29)14-30(3,4)15-25(28)34/h6-13,18,27,33H,14-15,17H2,1-5H3,(H,32,35)InChIKey
XZENVWLYSVJZRY-UHFFFAOYSA-NSynonyms
342384-51-42((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4(propan2yl)phenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(4isopropylphenyl)acetamide
2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4propan2ylphenyl)acetamide
342384514
CC(C)C1=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=1SC30H33N3O3Sc118(2)1961021(11719)3226(35)17372923(1631)27(2081222(365)13920)2824(3329)1430(34)1525(28)34h613182733H141517H215H3(H3235)
MFCD02943055
ZINC000001244344
ZINC000001244345
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