Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(3-fluorobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK848978
SMILES CCN1CC[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 C22H23FN2O3 MW 382.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O3/c1-2-24-8-10-25(11-9-24)14-18-19(26)7-6-17-21(27)20(28-22(17)18)13-15-4-3-5-16(23)12-15/h3-7,12-13,26H,2,8-11,14H2,1H3/b20-13-InChIKey
AMRWDTVEVSGLDF-MOSHPQCFSA-NSynonyms
899413-75-3(2Z)7((4ethylpiperazin1ium1yl)methyl)2((3fluorophenyl)methylidene)3oxo1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)2(3fluorobenzylidene)3oxo23dihydro1benzofuran6olate
(2Z)7((4ETHYLPIPERAZIN1YL)METHYL)2((3FLUOROPHENYL)METHYLIDENE)6HYDROXY1BENZOFURAN3ONE
7((4ETHYLPIPERAZINYL)METHYL)2((3FLUOROPHENYL)METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
899413753
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cccc(c1)F)C2=O
CCN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC=C4)F)C3=O)(O)
InChI=1SC22H23FN2O3c122481025(11924)141819(26)761721(27)20(2822(17)18)131543516(23)1215h37121326H281114H21H3b2013
MFCD06609319
ZINC000020533334
ZINC20533334
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