Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-{[benzyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL529810
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/C2=O)Cc1ccccc1
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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 C25H21NO5 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO5/c1-26(13-16-5-3-2-4-6-16)14-19-20(27)9-8-18-24(28)23(31-25(18)19)12-17-7-10-21-22(11-17)30-15-29-21/h2-12,27H,13-15H2,1H3/b23-12-InChIKey
LOEXTUMFTKFTCW-FMCGGJTJSA-NSynonyms
859661-05-5(2~(Z))2(13benzodioxol5ylmethylidene)7((benzyl(methyl)azaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2(13benzodioxol5ylmethylidene)7((benzyl(methyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
29094056
859661055
MFCD06494388
ZINC000020611162
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