Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-7-[(diethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856769
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+](CC)CC)[O-])Br
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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 C21H22BrNO4 MW 432.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrNO4/c1-4-23(5-2)12-16-17(24)8-7-15-20(25)19(27-21(15)16)11-13-10-14(22)6-9-18(13)26-3/h6-11,24H,4-5,12H2,1-3H3/b19-11-InChIKey
JGPLJNQJINRBGQ-ODLFYWEKSA-NSynonyms
929397-76-2(2Z)2((5bromo2methoxyphenyl)methylidene)7((diethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2(5bromo2methoxybenzylidene)7((diethylammonio)methyl)3oxo23dihydro1benzofuran6olate
929397762
CC(NH+)(CC)CC1=C(C=CC2=C1OC(=CC3=C(C=CC(=C3)Br)OC)C2=O)(O)
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)(CC)CC)(O))Br
InChI=1SC21H22BrNO4c1423(52)121617(24)871520(25)19(2721(15)16)11131014(22)6918(13)263h61124H4512H213H3b1911
MFCD09798174
ZINC000020648120
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