Vitas-M small molecule compound
(E)-{2-(3,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-2-methylphenyl)methanolate
Catalog ID
STL528388
SMILES COc1ccc(c(c1)C)/C(=C\1/C(c2ccc(c(c2)OC)OC)N(C(=O)C1=O)CC[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 C25H30N2O6 MW 454.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O6/c1-15-13-17(31-4)8-9-18(15)23(28)21-22(16-7-10-19(32-5)20(14-16)33-6)27(12-11-26(2)3)25(30)24(21)29/h7-10,13-14,22,28H,11-12H2,1-6H3/b23-21+InChIKey
UPLMJIXLIALZCW-XTQSDGFTSA-NSynonyms
460045-01-6(~(E))(2(34dimethoxyphenyl)1(2(dimethylazaniumyl)ethyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(34dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4methoxy2methylphenyl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY2METHYLPHENYL)METHANOLATE
460045016
6138845
InChI=1SC25H30N2O6c1151317(314)8918(15)23(28)2122(1671019(325)20(1416)336)27(121126(2)3)25(30)24(21)29h71013142228H1112H216H3b2321+
MFCD31753858
ZINC000103926502
ZINC000103926503
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