Vitas-M small molecule compound
2-ethoxyethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403373
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)c1ccc(c(c1)OC)OCC
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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 C34H37NO8 MW 587.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H37NO8/c1-6-40-12-13-42-34(38)30-20(4)35-25-15-22(21-9-11-28(41-7-2)29(17-21)39-5)16-26(36)32(25)31(30)24-18-43-27-10-8-19(3)14-23(27)33(24)37/h8-11,14,17-18,22,31,35H,6-7,12-13,15-16H2,1-5H3InChIKey
SHSQSXYHCGYNJZ-UHFFFAOYSA-NSynonyms
2ethoxyethyl7(4ethoxy3methoxyphenyl)2methyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl7(4ethoxy3methoxyphenyl)2methyl4(6methyl4oxochromen3yl)5oxo4678tetrahydro1Hquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=COC4=C(C3=O)C=C(C=C4)C)C(=O)CC(C2)C5=CC(=C(C=C5)OCC)OC)C
InChI=1SC34H37NO8c164012134234(38)3020(4)35251522(2191128(4172)29(1721)395)1626(36)32(25)31(30)2418432710819(3)1423(27)33(24)37h811141718223135H6712131516H215H3
MFCD03489197
ZINC000002758762
ZINC000002758765
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