Vitas-M small molecule compound

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

Catalog ID
STK592494
SMILES O=c1cc(C[NH+]2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2)Cl)[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 C20H18ClFN2O3 MW 388.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClFN2O3/c21-15-10-14-13(9-20(26)27-19(14)11-18(15)25)12-23-5-7-24(8-6-23)17-4-2-1-3-16(17)22/h1-4,9-11,25H,5-8,12H2
InChIKey
HIWQYKORDZZMGD-UHFFFAOYSA-N
Synonyms
849142-33-2
6chloro4((4(2fluorophenyl)piperazin1ium1yl)methyl)2oxo2Hchromen7olate
C1CN(CCN1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C4=CC=CC=C4F
InChI=1SC20H18ClFN2O3c2115101413(920(26)2719(14)1118(15)25)12235724(8623)17421316(17)22h1491125H5812H2
MFCD05701746
O=c1cc(C(NH+)2CCN(CC2)c2ccccc2F)c2c(o1)cc(c(c2)Cl)(O)
ZINC000054106037

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Available files

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