Vitas-M small molecule compound
(2Z)-2-(5-bromo-2-methoxybenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848976
SMILES COc1ccc(cc1/C=C/1\Oc2c(C1=O)ccc(c2C[NH+]1CCN(CC1)C)[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 C22H23BrN2O4 MW 459.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O4/c1-24-7-9-25(10-8-24)13-17-18(26)5-4-16-21(27)20(29-22(16)17)12-14-11-15(23)3-6-19(14)28-2/h3-6,11-12,26H,7-10,13H2,1-2H3/b20-12-InChIKey
NAPSHFMXJSAADH-NDENLUEZSA-NSynonyms
896808-14-3(2Z)2((5BROMO2METHOXYPHENYL)METHYLIDENE)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2(5bromo2methoxybenzylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((5BROMO2METHOXYPHENYL)METHYLENE)6HYDROXY7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
896808143
CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC(=C4)Br)OC)C3=O)O
COc1ccc(cc1C=C1Oc2c(C1=O)ccc(c2C(NH+)1CCN(CC1)C)(O))Br
InChI=1SC22H23BrN2O4c1247925(10824)131718(26)541621(27)20(2922(16)17)12141115(23)3619(14)282h36111226H71013H212H3b2012
MFCD06595636
ZINC000020504042
ZINC20504042
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