Vitas-M small molecule compound
(2Z)-7-[(dibutylammonio)methyl]-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629256
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(c(c1)OC)OC)/C2=O)CCCC
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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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-5-7-13-27(14-8-6-2)17-20-21(28)11-10-19-25(29)24(32-26(19)20)16-18-9-12-22(30-3)23(15-18)31-4/h9-12,15-16,28H,5-8,13-14,17H2,1-4H3/b24-16-InChIKey
WHEQHRIFFBTEKK-JLPGSUDCSA-NSynonyms
929488-83-5(2Z)7((dibutylammonio)methyl)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6olate
7((DIBUTYLAMINO)METHYL)2((34DIMETHOXYPHENYL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(c(c1)OC)OC)C2=O)CCCC
MFCD09792882
ZINC000020647375
ZINC20647375
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