Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-4,5-dioxo-2-(pyridin-3-yl)pyrrolidin-3-ylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate
Catalog ID
STL535387
SMILES COC(=O)c1[nH]c(c(c1C)/C(=C/1\C(=O)C(=O)N(C1c1cccnc1)CCC[NH+](C)C)/[O-])C
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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 C23H28N4O5 MW 440.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O5/c1-13-16(14(2)25-18(13)23(31)32-5)20(28)17-19(15-8-6-9-24-12-15)27(22(30)21(17)29)11-7-10-26(3)4/h6,8-9,12,19,25,28H,7,10-11H2,1-5H3/b20-17+InChIKey
BKIKDJROLDTUGR-LVZFUZTISA-NSynonyms
858744-58-8(~(E))(1(3(dimethylazaniumyl)propyl)45dioxo2pyridin3ylpyrrolidin3ylidene)(5methoxycarbonyl24dimethyl1~(H)pyrrol3yl)methanolate
(E)(1(3(dimethylammonio)propyl)45dioxo2(pyridin3yl)pyrrolidin3ylidene)(5(methoxycarbonyl)24dimethyl1Hpyrrol3yl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXO2PYRIDIN3YLPYRROLIDIN3YLIDENE)(5METHOXYCARBONYL24DIMETHYL1HPYRROL3YL)METHANOLATE
5895318
858744588
InChI=1SC23H28N4O5c11316(14(2)2518(13)23(31)325)20(28)1719(15869241215)27(22(30)21(17)29)1171026(3)4h68912192528H71011H215H3b2017+
MFCD31754033
ZINC000103583110
ZINC000103583122
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