Vitas-M small molecule compound
4-{[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl}-7-methyl-2-oxo-2H-chromen-6-olate
Catalog ID
STK573393
SMILES O=c1cc(C[NH+]2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(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 C21H21FN2O3 MW 368.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3/c1-14-10-20-16(12-19(14)25)15(11-21(26)27-20)13-23-6-8-24(9-7-23)18-5-3-2-4-17(18)22/h2-5,10-12,25H,6-9,13H2,1H3InChIKey
NBWICSUSZDDHLQ-UHFFFAOYSA-NSynonyms
877797-92-74((4(2fluorophenyl)piperazin1ium1yl)methyl)7methyl2oxo2Hchromen6olate
4((4(2fluorophenyl)piperazin1ium1yl)methyl)7methyl2oxochromen6olate
4((4(2FLUOROPHENYL)PIPERAZIN1YL)METHYL)6HYDROXY7METHYLCHROMEN2ONE
4((4(2FLUOROPHENYL)PIPERAZINYL)METHYL)6HYDROXY7METHYLCHROMEN2ONE
CC1=C(C=C2C(=CC(=O)OC2=C1)C(NH+)3CCN(CC3)C4=CC=CC=C4F)(O)
InChI=1SC21H21FN2O3c114102016(1219(14)25)15(1121(26)2720)13236824(9723)18532417(18)22h25101225H6913H21H3
MFCD05703436
O=c1cc(C(NH+)2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2)(O))C
ZINC000054105943
ZINC54105943
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