Vitas-M small molecule compound
(2Z)-7-{[bis(2-methylpropyl)ammonio]methyl}-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629426
SMILES CC(C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=O)CC(C)C)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 C26H28BrNO4 MW 498.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrNO4/c1-15(2)12-28(13-16(3)4)14-21-22(29)7-6-20-25(30)24(32-26(20)21)11-19-10-17-9-18(27)5-8-23(17)31-19/h5-11,15-16,29H,12-14H2,1-4H3/b24-11-InChIKey
HIRDJUSLLLVNGN-MYKKPKGFSA-NSynonyms
929457-19-2(2Z)7((bis(2methylpropyl)ammonio)methyl)2((5bromo1benzofuran2yl)methylidene)3oxo23dihydro1benzofuran6olate
7((BIS(2METHYLPROPYL)AMINO)METHYL)2((5BROMOBENZO(D)FURAN2YL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
CC(C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)CC(C)C)C
MFCD09792093
ZINC000020648209
ZINC20648209
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