Vitas-M small molecule compound
6-chloro-4-{[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl}-2-oxo-2H-chromen-7-olate
Catalog ID
STK571685
SMILES Fc1ccc(cc1)N1CC[NH+](CC1)Cc1cc(=O)oc2c1cc(Cl)c(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 C20H18ClFN2O3 MW 388.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClFN2O3/c21-17-10-16-13(9-20(26)27-19(16)11-18(17)25)12-23-5-7-24(8-6-23)15-3-1-14(22)2-4-15/h1-4,9-11,25H,5-8,12H2InChIKey
VNVJZZDWLDQIDT-UHFFFAOYSA-NSynonyms
877789-05-46chloro4((4(4fluorophenyl)piperazin1ium1yl)methyl)2oxo2Hchromen7olate
6chloro4((4(4fluorophenyl)piperazin1ium1yl)methyl)2oxochromen7olate
C1CN(CC(NH+)1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)(O))C4=CC=C(C=C4)F
Fc1ccc(cc1)N1CC(NH+)(CC1)Cc1cc(=O)oc2c1cc(Cl)c(c2)(O)
InChI=1SC20H18ClFN2O3c2117101613(920(26)2719(16)1118(17)25)12235724(8623)153114(22)2415h1491125H5812H2
MFCD05701799
ZINC000054106031
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