Vitas-M small molecule compound
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-[(dibutylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK626498
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc3c(c1)OCO3)/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 C25H29NO5 MW 423.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5/c1-3-5-11-26(12-6-4-2)15-19-20(27)9-8-18-24(28)23(31-25(18)19)14-17-7-10-21-22(13-17)30-16-29-21/h7-10,13-14,27H,3-6,11-12,15-16H2,1-2H3/b23-14-InChIKey
SXQKJAUHERFDKZ-UCQKPKSFSA-NSynonyms
929434-26-4(2Z)2(13benzodioxol5ylmethylidene)7((dibutylammonio)methyl)3oxo23dihydro1benzofuran6olate
2(2HBENZO(34D)13DIOXOLAN5YLMETHYLENE)7((DIBUTYLAMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc3c(c1)OCO3)C2=O)CCCC
MFCD09789258
ZINC000013680957
ZINC13680957
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