Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 7-(4-chlorophenyl)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK041294
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C30H34ClNO5S MW 556.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34ClNO5S/c1-5-36-25-12-9-20(17-26(25)35-4)28-27(30(34)37-13-14-38-6-2)18(3)32-23-15-21(16-24(33)29(23)28)19-7-10-22(31)11-8-19/h7-12,17,21,28,32H,5-6,13-16H2,1-4H3InChIKey
DNIRRBBWXQNACS-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl7(4chlorophenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl7(4chlorophenyl)4(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCSCC)C)OC
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC30H34ClNO5Sc15362512920(1726(25)354)2827(30(34)3713143862)18(3)32231521(1624(33)29(23)28)1971022(31)11819h71217212832H561316H214H3
MFCD01528039
STK041294
ZINC000100558819
ZINC000100558830
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