Vitas-M small molecule compound
(2Z)-7-{[butyl(methyl)ammonio]methyl}-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851604
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)OC)/C2=O)C
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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 C22H25NO4 MW 367.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4/c1-4-5-12-23(2)14-18-19(24)11-10-17-21(25)20(27-22(17)18)13-15-6-8-16(26-3)9-7-15/h6-11,13,24H,4-5,12,14H2,1-3H3/b20-13-InChIKey
PHLDXMGMIUOAAQ-MOSHPQCFSA-NSynonyms
896852-62-3(2Z)7((butyl(methyl)ammonio)methyl)2(4methoxybenzylidene)3oxo23dihydro1benzofuran6olate
896852623
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccc(cc1)OC)C2=O)C
CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)OC)C2=O)O
InChI=1SC22H25NO4c1451223(2)141819(24)11101721(25)20(2722(17)18)13156816(263)9715h6111324H451214H213H3b2013
MFCD06603091
ZINC000020518900
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