Vitas-M small molecule compound
(2Z)-2-(3-fluorobenzylidene)-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK851966
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cccc(c1)F)/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 C21H21FN2O3 MW 368.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3/c1-23-7-9-24(10-8-23)13-17-18(25)6-5-16-20(26)19(27-21(16)17)12-14-3-2-4-15(22)11-14/h2-6,11-12,25H,7-10,13H2,1H3/b19-12-InChIKey
RZDWJIIYFGYGHS-UNOMPAQXSA-NSynonyms
896850-07-0(2Z)2((3FLUOROPHENYL)METHYLIDENE)6HYDROXY7((4METHYLPIPERAZIN1YL)METHYL)1BENZOFURAN3ONE
(2Z)2((3fluorophenyl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(3fluorobenzylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((3FLUOROPHENYL)METHYLENE)6HYDROXY7((4METHYLPIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
896850070
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)F)C2=O
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)(O)
InChI=1SC21H21FN2O3c1237924(10823)131718(25)651620(26)19(2721(16)17)121432415(22)1114h26111225H71013H21H3b1912
MFCD06602467
ZINC000020518751
ZINC20518751
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