Vitas-M small molecule compound
(2Z)-2-(3-fluorobenzylidene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853944
SMILES CN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cccc(c1)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 C22H23FN2O3 MW 382.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O3/c1-14-10-18(26)17(13-25-8-6-24(2)7-9-25)22-20(14)21(27)19(28-22)12-15-4-3-5-16(23)11-15/h3-5,10-12,26H,6-9,13H2,1-2H3/b19-12-InChIKey
CGICVISEQBUGHI-UNOMPAQXSA-NSynonyms
903192-75-6(2Z)2((3fluorophenyl)methylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(3fluorobenzylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
903192756
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=CC=C3)F)O2)C(NH+)4CCN(CC4)C)(O)
CN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cccc(c1)F)C2=O)C
InChI=1SC22H23FN2O3c1141018(26)17(13258624(2)7925)2220(14)21(27)19(2822)121543516(23)1115h35101226H6913H212H3b1912
MFCD08287033
ZINC000020573508
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