Vitas-M small molecule compound
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK895591
SMILES CCOc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(c(c1)OC)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 C30H33N3O5S MW 547.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33N3O5S/c1-6-38-20-10-8-19(9-11-20)32-26(35)17-39-29-21(16-31)27(18-7-12-24(36-4)25(13-18)37-5)28-22(33-29)14-30(2,3)15-23(28)34/h7-13,27,33H,6,14-15,17H2,1-5H3,(H,32,35)InChIKey
NSIAAHOOYSHGKR-UHFFFAOYSA-NSynonyms
369397-16-02((3cyano4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
2((3cyano4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinolin2yl)thio)N(4ethoxyphenyl)acetamide
2((3cyano4(34dimethoxyphenyl)77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)N(4ethoxyphenyl)acetamide
369397160
CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC)OC)C#N
InChI=1SC30H33N3O5Sc16382010819(91120)3226(35)17392921(1631)27(1871224(364)25(1318)375)2822(3329)1430(23)1523(28)34h7132733H6141517H215H3(H3235)
MFCD03000366
ZINC000001472076
ZINC000001472077
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