Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK852792
SMILES CCN1CC[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 C22H22ClFN2O3 MW 416.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClFN2O3/c1-2-25-8-10-26(11-9-25)13-16-19(27)7-6-14-21(28)20(29-22(14)16)12-15-17(23)4-3-5-18(15)24/h3-7,12,27H,2,8-11,13H2,1H3/b20-12-InChIKey
VTINTXORKSGFLV-NDENLUEZSA-NSynonyms
896806-36-3(2Z)2((2chloro6fluorophenyl)methylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2((2CHLORO6FLUOROPHENYL)METHYLIDENE)7((4ETHYLPIPERAZIN1YL)METHYL)6HYDROXY1BENZOFURAN3ONE
(2Z)2(2chloro6fluorobenzylidene)7((4ethylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6CHLORO2FLUOROPHENYL)METHYLENE)7((4ETHYLPIPERAZINYL)METHYL)6HYDROXYBENZO(B)FURAN3ONE
896806363
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)(O)
InChI=1SC22H22ClFN2O3c122581026(11925)131619(27)761421(28)20(2922(14)16)121517(23)43518(15)24h371227H281113H21H3b2012
MFCD06595213
ZINC000020504005
ZINC20504005
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