Vitas-M small molecule compound
methyl 3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]-3-(quinolin-8-yl)propanoate
Catalog ID
STL408927
SMILES COC(=O)CC(c1cccc2c1nccc2)c1c([nH]nc1O)Cc1cc(F)c(cc1F)F
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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 C23H18F3N3O3 MW 441.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18F3N3O3/c1-32-20(30)10-15(14-6-2-4-12-5-3-7-27-22(12)14)21-19(28-29-23(21)31)9-13-8-17(25)18(26)11-16(13)24/h2-8,11,15H,9-10H2,1H3,(H2,28,29,31)InChIKey
KDNNDZDSQBERAJ-UHFFFAOYSA-NSynonyms
1574345-79-11574345791
COC(=O)CC(C1=CC=CC2=C1N=CC=C2)C3=C(NNC3=O)CC4=CC(=C(C=C4F)F)F
COC(=O)CC(c1cccc2c1nccc2)c1c((nH)nc1O)Cc1cc(F)c(cc1F)F
InChI=1SC23H18F3N3O3c13220(30)1015(14624125372722(12)14)2119(282923(21)31)913817(25)18(26)1116(13)24h281115H910H21H3(H2282931)
methyl3(3hydroxy5(245trifluorobenzyl)1Hpyrazol4yl)3(quinolin8yl)propanoate
methyl3(3oxo5((245trifluorophenyl)methyl)12dihydropyrazol4yl)3quinolin8ylpropanoate
MFCD30705452
ZINC000096232313
ZINC000096232314
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