Vitas-M small molecule compound
(2E)-7-{[butyl(methyl)ammonio]methyl}-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628518
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cc(OC)cc3)C)/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 C25H28N2O4 MW 420.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O4/c1-5-6-11-26(2)15-20-22(28)10-8-18-24(29)23(31-25(18)20)12-16-14-27(3)21-9-7-17(30-4)13-19(16)21/h7-10,12-14,28H,5-6,11,15H2,1-4H3/b23-12+InChIKey
SIVSCNMMVNFCKR-FSJBWODESA-NSynonyms
929398-27-6(2E)7((butyl(methyl)amino)methyl)6hydroxy2((5methoxy1methylindol3yl)methylidene)1benzofuran3one
(2E)7((butyl(methyl)ammonio)methyl)2((5methoxy1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929398276
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)C)C2=O)C
InChI=1SC25H28N2O4c1561126(2)152022(28)1081824(29)23(3125(18)20)12161427(3)219717(304)1319(16)21h710121428H561115H214H3b2312+
MFCD09797818
ZINC000020650686
ZINC20650686
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