Vitas-M small molecule compound
(2Z)-7-{[benzyl(methyl)ammonio]methyl}-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL529996
SMILES COc1cc(OC)c(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](Cc1ccccc1)C)[O-])OC
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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 C27H27NO6 MW 461.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO6/c1-28(15-17-8-6-5-7-9-17)16-20-21(29)11-10-19-26(30)25(34-27(19)20)13-18-12-23(32-3)24(33-4)14-22(18)31-2/h5-14,29H,15-16H2,1-4H3/b25-13-InChIKey
RVQIPLKPEUBFFD-MXAYSNPKSA-NSynonyms
859662-96-7(2~(Z))7((benzyl(methyl)azaniumyl)methyl)3oxo2((245trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)7((benzyl(methyl)ammonio)methyl)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6olate
29094099
859662967
MFCD06494701
ZINC000020611270
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