Vitas-M small molecule compound
(2Z)-2-(4-fluorobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK607766
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1ccc(cc1)F)/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)18(14-26-8-6-25(7-9-26)10-11-27)23-21(15)22(29)20(30-23)13-16-2-4-17(24)5-3-16/h2-5,12-13,27-28H,6-11,14H2,1H3/b20-13-InChIKey
CJDHEWSAENJCNJ-MOSHPQCFSA-NSynonyms
903860-99-1(2Z)2((4FLUOROPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)4METHYL1BENZOFURAN3ONE
(2Z)2((4fluorophenyl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo1benzofuran6olate
(2Z)2(4fluorobenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo23dihydro1benzofuran6olate
2((4FLUOROPHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYLBENZO(B)FURAN3ONE
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)F)O2)C(NH+)4CCN(CC4)CCO)(O)
InChI=1SC23H25FN2O4c1151219(28)18(14268625(7926)101127)2321(15)22(29)20(3023)13162417(24)5316h2512132728H61114H21H3b2013
MFCD08292209
OCCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1ccc(cc1)F)C2=O)C
ZINC000020591118
ZINC20591118
Check stock
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Check stock on Vitas-MAvailable files
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