Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL528502
SMILES COc1cc(ccc1O)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCC(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/c1-17(2)16-36-22-11-9-20(14-18(22)3)26(32)24-25(19-8-10-21(31)23(15-19)35-6)30(28(34)27(24)33)13-7-12-29(4)5/h8-11,14-15,17,25,31-32H,7,12-13,16H2,1-6H3/b26-24+InChIKey
LQCXKHZLZZDCRE-SHHOIMCASA-NSynonyms
459794-06-0(~(E))(1(3(dimethylazaniumyl)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(dimethylammonio)propyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
459794060
5982919
InChI=1SC28H36N2O6c117(2)16362211920(1418(22)3)26(32)2425(1981021(31)23(1519)356)30(28(34)27(24)33)1371229(4)5h811141517253132H7121316H216H3b2624+
MFCD31753877
ZINC000103983408
ZINC000103983411
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