Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407403
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)C(C(C2)C)C(=O)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 C28H31NO7S MW 525.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO7S/c1-6-37-10-9-35-28(33)22-16(4)29-19-12-15(3)21(27(32)34-5)26(31)24(19)23(22)18-13-36-20-8-7-14(2)11-17(20)25(18)30/h7-8,11,13,15,21,23,29H,6,9-10,12H2,1-5H3InChIKey
UNHASRZMNROZFB-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl4(6methyl4oxochromen3yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC28H31NO7Sc16371093528(33)2216(4)29191215(3)21(27(32)345)26(31)24(19)23(22)181336208714(2)1117(20)25(18)30h78111315212329H691012H215H3
MFCD04057052
ZINC000020190917
ZINC000035877228
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