Vitas-M small molecule compound
(2Z)-2-(1-benzofuran-2-ylmethylidene)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK620288
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)cccc3)/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 C23H23NO4 MW 377.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO4/c1-3-4-11-24(2)14-18-19(25)10-9-17-22(26)21(28-23(17)18)13-16-12-15-7-5-6-8-20(15)27-16/h5-10,12-13,25H,3-4,11,14H2,1-2H3/b21-13-InChIKey
OMYLUXSFAJYHLK-BKUYFWCQSA-NSynonyms
929961-58-0(2Z)2(1benzofuran2ylmethylidene)7((butyl(methyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2(1benzofuran2ylmethylidene)7((butyl(methyl)azaniumyl)methyl)3oxo1benzofuran6olate
929961580
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)(O)
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C
InChI=1SC23H23NO4c1341124(2)141819(25)1091722(26)21(2823(17)18)13161215756820(15)2716h510121325H341114H212H3b2113
MFCD09797230
ZINC000020663678
ZINC20663678
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