Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK584776
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1c(F)cccc1Cl)/C2=O
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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 C22H22ClFN2O4 MW 432.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClFN2O4/c23-17-2-1-3-18(24)15(17)12-20-21(29)14-4-5-19(28)16(22(14)30-20)13-26-8-6-25(7-9-26)10-11-27/h1-5,12,27-28H,6-11,13H2/b20-12-InChIKey
GVICHRXTAGDOOG-NDENLUEZSA-NSynonyms
899385-43-4(2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((2chloro6fluorophenyl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(2chloro6fluorobenzylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6CHLORO2FLUOROPHENYL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
C1CN(CC(NH+)1CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)(O))CCO
InChI=1SC22H22ClFN2O4c231721318(24)15(17)122021(29)144519(28)16(22(14)3020)13268625(7926)101127h15122728H61113H2b2012
MFCD06604584
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O
ZINC000020519225
ZINC20519225
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