Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628435
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/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 C23H22BrNO4 MW 456.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22BrNO4/c1-3-4-9-25(2)13-18-19(26)7-6-17-22(27)21(29-23(17)18)12-16-11-14-10-15(24)5-8-20(14)28-16/h5-8,10-12,26H,3-4,9,13H2,1-2H3/b21-12-InChIKey
YVXPTBWQZZVGOW-MTJSOVHGSA-NSynonyms
929488-79-9(2Z)2((5bromo1benzofuran2yl)methylidene)7((butyl(methyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)7((BUTYLMETHYLAMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C
MFCD09789439
ZINC000020648849
ZINC20648849
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