Vitas-M small molecule compound
(2Z)-2-(2,3-dimethoxybenzylidene)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL517075
SMILES COc1c(cccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCC(CC1)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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-15-9-11-25(12-10-15)14-18-19(26)8-7-17-22(27)21(30-24(17)18)13-16-5-4-6-20(28-2)23(16)29-3/h4-8,13,15,26H,9-12,14H2,1-3H3/b21-13-InChIKey
XLKBYANDBOHHII-BKUYFWCQSA-NSynonyms
859133-61-2(2~(Z))2((23dimethoxyphenyl)methylidene)7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(23dimethoxybenzylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
29093919
859133612
MFCD06493078
ZINC000020610677
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