Vitas-M small molecule compound
methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK075910
SMILES CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC)C
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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 C27H29NO5S MW 479.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5S/c1-15-24(27(30)33-4)25(16-6-9-19(34-5)10-7-16)26-20(28-15)12-18(13-21(26)29)17-8-11-22(31-2)23(14-17)32-3/h6-11,14,18,25,28H,12-13H2,1-5H3InChIKey
PAEHHYLJZDHANR-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)SC)C(=O)OC
CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC)C
InChI=1SC27H29NO5Sc11524(27(30)334)25(166919(345)10716)2620(2815)1218(1321(26)29)1781122(312)23(1417)323h61114182528H1213H215H3
methyl7(34dimethoxyphenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(34dimethoxyphenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02224204
STK075910
ZINC000000863420
ZINC000000863423
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