Vitas-M small molecule compound
(E)-{1-[3-(dimethylammonio)propyl]-2-(4-hydroxyphenyl)-4,5-dioxopyrrolidin-3-ylidene}[3-methyl-4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL528404
SMILES CC(COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)O)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 C27H34N2O5 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O5/c1-17(2)16-34-22-12-9-20(15-18(22)3)25(31)23-24(19-7-10-21(30)11-8-19)29(27(33)26(23)32)14-6-13-28(4)5/h7-12,15,17,24,30-31H,6,13-14,16H2,1-5H3/b25-23+InChIKey
FZAWKHRYLWBSRT-WJTDDFOZSA-NSynonyms
(~(E))(1(3(dimethylazaniumyl)propyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(dimethylammonio)propyl)2(4hydroxyphenyl)45dioxopyrrolidin3ylidene)(3methyl4(2methylpropoxy)phenyl)methanolate
(E)(1(3(DIMETHYLAZANIUMYL)PROPYL)2(4HYDROXYPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4(2METHYLPROPOXY)PHENYL)METHANOLATE
6279633
InChI=1SC27H34N2O5c117(2)16342212920(1518(22)3)25(31)2324(1971021(30)11819)29(27(33)26(23)32)1461328(4)5h7121517243031H6131416H215H3b2523+
MFCD31753862
ZINC000102175375
ZINC000102175380
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