Vitas-M small molecule compound
(E)-{2-(3,4-diethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STL147485
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)OCC)CCC[NH+](C)C)/[O-]
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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 C28H36N2O6 MW 496.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H36N2O6/c1-6-34-21-13-10-19(11-14-21)26(31)24-25(30(28(33)27(24)32)17-9-16-29(4)5)20-12-15-22(35-7-2)23(18-20)36-8-3/h10-15,18,25,31H,6-9,16-17H2,1-5H3/b26-24+InChIKey
YRSLDEUXDNQEMT-SHHOIMCASA-NSynonyms
620123-90-2(4E)5(34DIETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)PYRROLIDINE23DIONE
(E)(2(34diethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(2(34DIETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
5(34DIETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY3PYRROLIN2ONE
620123902
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)(C)C)C3=CC(=C(C=C3)OCC)OCC)(O)
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OCC)OCC)CCC(NH+)(C)C)(O)
InChI=1SC28H36N2O6c163421131019(111421)26(31)2425(30(28(33)27(24)32)1791629(4)5)20121522(3572)23(1820)3683h1015182531H691617H215H3b2624+
MFCD20755205
ZINC000102925729
ZINC000102925732
Check stock
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