Vitas-M small molecule compound

ethyl 5-{1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-[(3-ethoxy-4-methoxybenzyl)amino]-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate

Catalog ID
STL435181
SMILES CCOC(=O)c1c[nH]c(=O)c(c1O)C(c1cc(OC)c2c(c1OC)OCO2)CC(=O)NCc1ccc(c(c1)OCC)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 C30H34N2O11 MW 598.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34N2O11/c1-6-40-21-10-16(8-9-20(21)37-3)13-31-23(33)12-17(24-25(34)19(14-32-29(24)35)30(36)41-7-2)18-11-22(38-4)27-28(26(18)39-5)43-15-42-27/h8-11,14,17H,6-7,12-13,15H2,1-5H3,(H,31,33)(H2,32,34,35)
InChIKey
GNTDPIZZCNCAPK-UHFFFAOYSA-N
Synonyms

CCOC(=O)c1c(nH)c(=O)c(c1O)C(c1cc(OC)c2c(c1OC)OCO2)CC(=O)NCc1ccc(c(c1)OCC)OC
CCOC1=C(C=CC(=C1)CNC(=O)CC(C2=CC(=C3C(=C2OC)OCO3)OC)C4=C(C(=CNC4=O)C(=O)OCC)O)OC
ethyl5(1(47dimethoxy13benzodioxol5yl)3((3ethoxy4methoxybenzyl)amino)3oxopropyl)4hydroxy6oxo16dihydropyridine3carboxylate
ethyl5(1(47dimethoxy13benzodioxol5yl)3((3ethoxy4methoxyphenyl)methylamino)3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
InChI=1SC30H34N2O11c1640211016(8920(21)373)133123(33)1217(2425(34)19(143229(24)35)30(36)4172)181122(384)2728(26(18)395)43154227h8111417H67121315H215H3(H3133)(H2323435)
MFCD30711717
ZINC000253496486
ZINC000253496487

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Available files

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