Vitas-M small molecule compound
(2Z)-2-(2-fluorobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK615629
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccccc1F)/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 C23H25FN2O4 MW 412.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25FN2O4/c1-15-12-19(28)17(14-26-8-6-25(7-9-26)10-11-27)23-21(15)22(29)20(30-23)13-16-4-2-3-5-18(16)24/h2-5,12-13,27-28H,6-11,14H2,1H3/b20-13-InChIKey
JMIKPDFVWJEHSK-MOSHPQCFSA-NSynonyms
903850-14-6(2Z)2((2FLUOROPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)4METHYL1BENZOFURAN3ONE
(2Z)2(2fluorobenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
2((2FLUOROPHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYLBENZO(B)FURAN3ONE
MFCD08290650
OCCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccccc1F)C2=O)C
ZINC000020589939
ZINC20589939
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