Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(2,3-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL516801
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCCC1)[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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-28-20-9-7-8-16(23(20)29-2)14-21-22(27)17-10-11-19(26)18(24(17)30-21)15-25-12-5-3-4-6-13-25/h7-11,14,26H,3-6,12-13,15H2,1-2H3/b21-14-InChIKey
FOZVYOUQOFKHMO-STZFKDTASA-NSynonyms
859664-10-1(2~(Z))7(azepan1ium1ylmethyl)2((23dimethoxyphenyl)methylidene)3oxo1benzofuran6olate
(2Z)7(azepanium1ylmethyl)2(23dimethoxybenzylidene)3oxo23dihydro1benzofuran6olate
29094159
859664101
MFCD06495441
ZINC000020611576
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