Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(4-hydroxy-3-methoxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[2-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL528596
SMILES COc1cc(ccc1O)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-16(2)15-35-19-8-9-20(17(3)13-19)25(31)23-24(18-7-10-21(30)22(14-18)34-6)29(12-11-28(4)5)27(33)26(23)32/h7-10,13-14,16,24,30-31H,11-12,15H2,1-6H3/b25-23+InChIKey
RTOPESHUUMVKJR-WJTDDFOZSA-NSynonyms
(~(E))(1(2(dimethylazaniumyl)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(dimethylammonio)ethyl)2(4hydroxy3methoxyphenyl)45dioxopyrrolidin3ylidene)(2methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(4HYDROXY3METHOXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
6092351
InChI=1SC27H34N2O6c116(2)1535198920(17(3)1319)25(31)2324(1871021(30)22(1418)346)29(121128(4)5)27(33)26(23)32h710131416243031H111215H216H3b2523+
MFCD31753885
ZINC000103951012
ZINC000103951017
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