Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-7-{[butyl(methyl)ammonio]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK630439
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Br)ccc1OC)/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 C22H24BrNO4 MW 446.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrNO4/c1-4-5-10-24(2)13-17-18(25)8-7-16-21(26)20(28-22(16)17)12-14-11-15(23)6-9-19(14)27-3/h6-9,11-12,25H,4-5,10,13H2,1-3H3/b20-12-InChIKey
SNSAQKHQFIFODM-NDENLUEZSA-NSynonyms
929397-72-8(2Z)2(5bromo2methoxybenzylidene)7((butyl(methyl)ammonio)methyl)3oxo23dihydro1benzofuran6olate
2((5BROMO2METHOXYPHENYL)METHYLENE)7((BUTYLMETHYLAMINO)METHYL)6HYDROXYBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc(Br)ccc1OC)C2=O)C
MFCD09795909
ZINC000013655026
ZINC13655026
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