Vitas-M small molecule compound
N-(4-butylphenyl)-2-{[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK826885
SMILES CCCCc1ccc(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 C31H35N3O3S MW 529.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O3S/c1-5-6-7-20-8-12-22(13-9-20)33-27(36)19-38-30-24(18-32)28(21-10-14-23(37-4)15-11-21)29-25(34-30)16-31(2,3)17-26(29)35/h8-15,28,34H,5-7,16-17,19H2,1-4H3,(H,33,36)InChIKey
UWZSYEIMJPOUJV-UHFFFAOYSA-NSynonyms
799825-67-5799825675
CCCCC1=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=1SC31H35N3O3Sc15672081222(13920)3327(36)19383024(1832)28(21101423(374)151121)2925(3430)1631(23)1726(29)35h8152834H57161719H214H3(H3336)
MFCD03683143
N(4butylphenyl)2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetamide
N(4butylphenyl)2((3cyano4(4methoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)acetamide
N(4butylphenyl)2((3cyano4(4methoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetamide
ZINC000013297909
ZINC000013297910
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