Vitas-M small molecule compound
(2Z)-2-(2-chloro-6-fluorobenzylidene)-6-hydroxy-7-[(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3(2H)-one
Catalog ID
STK992588
SMILES CC1CCN(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((2chloro6fluorophenyl)methylidene)7((4methylpiperidin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(2chloro6fluorobenzylidene)6hydroxy7((4methylpiperidin1yl)methyl)1benzofuran3(2H)one
(Z)2(2chloro6fluorobenzylidene)6hydroxy7((4methylpiperidin1yl)methyl)benzofuran3(2H)one
929397660
CC1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CC=C4Cl)F)C3=O)(O)
CC1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1c(F)cccc1Cl)C2=O
InChI=1SC22H21ClFNO3c1137925(10813)121619(26)651421(27)20(2822(14)16)111517(23)32418(15)24h26111326H71012H21H3b2011
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