Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-7-[(4-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK625247
SMILES CC1CC[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 C22H21ClFNO3 MW 401.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClFNO3/c1-13-7-9-25(10-8-13)12-16-19(26)6-5-14-21(27)20(28-22(14)16)11-15-17(23)3-2-4-18(15)24/h2-6,11,13,26H,7-10,12H2,1H3/b20-11-InChIKey
SJGUYOMLZSYDDA-JAIQZWGSSA-NSynonyms
929397-66-0(2Z)2(2chloro6fluorobenzylidene)7((4methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6CHLORO2FLUOROPHENYL)METHYLENE)6HYDROXY7((4METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O
MFCD09793983
ZINC000020650799
ZINC20650799
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