Vitas-M small molecule compound
(2Z)-7-(azepanium-1-ylmethyl)-2-(5-bromo-2-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK622069
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCCCCC1)[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 C23H24BrNO4 MW 458.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24BrNO4/c1-28-20-9-6-16(24)12-15(20)13-21-22(27)17-7-8-19(26)18(23(17)29-21)14-25-10-4-2-3-5-11-25/h6-9,12-13,26H,2-5,10-11,14H2,1H3/b21-13-InChIKey
ILMMQLWFCMZMAD-BKUYFWCQSA-NSynonyms
929488-75-5(2Z)7(azepanium1ylmethyl)2(5bromo2methoxybenzylidene)3oxo23dihydro1benzofuran6olate
7(AZAPERHYDROEPINYLMETHYL)2((5BROMO2METHOXYPHENYL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCCCCC1)(O))Br
MFCD09794886
ZINC000008992311
ZINC8992311
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