Vitas-M small molecule compound
(2E)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(dibutylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK622724
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cc3c(o1)ccc(c3)Br)/C2=O)CCCC
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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/c1-3-5-11-28(12-6-4-2)16-21-22(29)9-8-20-25(30)24(32-26(20)21)15-19-14-17-13-18(27)7-10-23(17)31-19/h7-10,13-15,29H,3-6,11-12,16H2,1-2H3/b24-15+InChIKey
GTXNHNIMGBORDC-BUVRLJJBSA-NSynonyms
929398-32-3(2E)2((5bromo1benzofuran2yl)methylidene)7((dibutylammonio)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((5bromo1benzofuran2yl)methylidene)7((dibutylazaniumyl)methyl)3oxo1benzofuran6olate
929398323
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)CCCC
CCCC(NH+)(CCCC)CC1=C(C=CC2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)(O)
InChI=1SC26H28BrNO4c1351128(12642)162122(29)982025(30)24(3226(20)21)151914171318(27)71023(17)3119h710131529H36111216H212H3b2415+
MFCD09796193
ZINC000020647631
ZINC20647631
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