Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(1,3-benzodioxol-5-yl)-7-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403407
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C31H35NO7S MW 565.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO7S/c1-5-36-24-9-7-19(15-26(24)35-4)21-13-22-30(23(33)14-21)29(20-8-10-25-27(16-20)39-17-38-25)28(18(3)32-22)31(34)37-11-12-40-6-2/h7-10,15-16,21,29,32H,5-6,11-14,17H2,1-4H3InChIKey
GDDMQGLIPXPJNG-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(13benzodioxol5yl)7(4ethoxy3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(13benzodioxol5yl)7(4ethoxy3methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=C(C=C1)C2CC3=C(C(C(=C(N3)C)C(=O)OCCSCC)C4=CC5=C(C=C4)OCO5)C(=O)C2)OC
InChI=1SC31H35NO7Sc1536249719(1526(24)354)21132230(23(33)1421)29(208102527(1620)39173825)28(18(3)3222)31(34)3711124062h7101516212932H56111417H214H3
MFCD03489234
ZINC000097939606
ZINC000097939609
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