Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(2,3-dimethoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL046044
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2c(C)[nH]c(c2C)C(=O)OC)/[O-])/C1c1cccc(c1OC)OC)CC
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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 C27H35N3O7 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N3O7/c1-8-29(9-2)13-14-30-22(17-11-10-12-18(35-5)25(17)36-6)20(24(32)26(30)33)23(31)19-15(3)21(27(34)37-7)28-16(19)4/h10-12,22,28,31H,8-9,13-14H2,1-7H3/b23-20+InChIKey
DBMQRDLLDHMJGB-BSYVCWPDSA-NSynonyms
578759-42-9(E)(1(2(diethylammonio)ethyl)2(23dimethoxyphenyl)45dioxopyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(23DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
578759429
CC(NH+)(CC)CCN1C(C(=C(C2=C(NC(=C2C)C(=O)OC)C)(O))C(=O)C1=O)C3=C(C(=CC=C3)OC)OC
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2c(C)(nH)c(c2C)C(=O)OC)(O))C1c1cccc(c1OC)OC)CC
InChI=1SC27H35N3O7c1829(92)13143022(1711101218(355)25(17)366)20(24(32)26(30)33)23(31)1915(3)21(27(34)377)2816(19)4h1012222831H891314H217H3b2320+
METHYL4((1(2(DIETHYLAMINO)ETHYL)2(23DIMETHOXYPHENYL)4HYDROXY5OXO(3PYRROLIN3YL))CARBONYL)35DIMETHYLPYRROLE2CARBOXYLATE
METHYL4((E)(1(2DIETHYLAMINOETHYL)2(23DIMETHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)HYDROXYMETHYL)35DIMETHYL1HPYRROLE2CARBOXYLATE
MFCD18248769
ZINC000008921113
ZINC000008921116
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