Vitas-M small molecule compound
ethyl 5-{3-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropyl}-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate
Catalog ID
STL435222
SMILES CCOC(=O)c1c[nH]c(=O)c(c1O)C(c1cc(OC)c2c(c1OC)OCO2)CC(=O)NCc1ccc2c(c1)OCO2
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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 C28H28N2O11 MW 568.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O11/c1-4-37-28(34)17-11-30-27(33)22(23(17)32)15(16-8-20(35-2)25-26(24(16)36-3)41-13-40-25)9-21(31)29-10-14-5-6-18-19(7-14)39-12-38-18/h5-8,11,15H,4,9-10,12-13H2,1-3H3,(H,29,31)(H2,30,32,33)InChIKey
LTTNZSUQEFWKQO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=C5C(=C4OC)OCO5)OC
CCOC(=O)c1c(nH)c(=O)c(c1O)C(c1cc(OC)c2c(c1OC)OCO2)CC(=O)NCc1ccc2c(c1)OCO2
ethyl5(3((13benzodioxol5ylmethyl)amino)1(47dimethoxy13benzodioxol5yl)3oxopropyl)4hydroxy6oxo16dihydropyridine3carboxylate
ethyl5(3(13benzodioxol5ylmethylamino)1(47dimethoxy13benzodioxol5yl)3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
InChI=1SC28H28N2O11c143728(34)17113027(33)22(23(17)32)15(16820(352)2526(24(16)363)41134025)921(31)291014561819(714)39123818h581115H49101213H213H3(H2931)(H2303233)
MFCD30711758
ZINC000253496534
ZINC000253496535
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