Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL528547
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-15-14-17(8-11-19(15)31-4)22(28)20-21(16-6-9-18(27)10-7-16)26(24(30)23(20)29)13-5-12-25(2)3/h6-11,14,21,27-28H,5,12-13H2,1-4H3/b22-20+InChIKey
QBKMOBGMYGHQEA-LSDHQDQOSA-NSynonyms
(~(E))(1(3(dimethylazaniumyl)propyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(dimethylammonio)propyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
5972192
InChI=1SC24H28N2O5c1151417(81119(15)314)22(28)2021(166918(27)10716)26(24(30)23(20)29)1351225(2)3h61114212728H51213H214H3b2220+
MFCD31753882
ZINC000103887086
ZINC000103887091
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