Vitas-M small molecule compound

4-{[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl}-8-methyl-2-oxo-2H-chromen-7-olate

Catalog ID
STK599102
SMILES O=c1cc(C[NH+]2CCN(CC2)c2ccccc2F)c2c(o1)c(C)c(cc2)[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/c1-14-19(25)7-6-16-15(12-20(26)27-21(14)16)13-23-8-10-24(11-9-23)18-5-3-2-4-17(18)22/h2-7,12,25H,8-11,13H2,1H3
InChIKey
XDSSUYWGFBYTIQ-UHFFFAOYSA-N
Synonyms
849552-67-6
4((4(2fluorophenyl)piperazin1ium1yl)methyl)8methyl2oxo2Hchromen7olate
4((4(2FLUOROPHENYL)PIPERAZIN1YL)METHYL)7HYDROXY8METHYLCHROMEN2ONE
4((4(2FLUOROPHENYL)PIPERAZINYL)METHYL)7HYDROXY8METHYLCHROMEN2ONE
CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)C4=CC=CC=C4F)O
InChI=1SC21H21FN2O3c11419(25)761615(1220(26)2721(14)16)132381024(11923)18532417(18)22h271225H81113H21H3
MFCD05701846
O=c1cc(C(NH+)2CCN(CC2)c2ccccc2F)c2c(o1)c(C)c(cc2)(O)
ZINC000054105929
ZINC54105929

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Available files

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