Vitas-M small molecule compound
methyl 3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]-3-(pyrazolo[1,5-a]pyrimidin-3-yl)propanoate
Catalog ID
STL408319
SMILES COC(=O)CC(c1cnn2c1nccc2)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 C20H16F3N5O3 MW 431.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O3/c1-31-17(29)7-11(12-9-25-28-4-2-3-24-19(12)28)18-16(26-27-20(18)30)6-10-5-14(22)15(23)8-13(10)21/h2-5,8-9,11H,6-7H2,1H3,(H2,26,27,30)InChIKey
MTNINGRYDIIAQC-UHFFFAOYSA-NSynonyms
1574354-56-51574354565
COC(=O)CC(C1=C2N=CC=CN2N=C1)C3=C(NNC3=O)CC4=CC(=C(C=C4F)F)F
COC(=O)CC(c1cnn2c1nccc2)c1c((nH)nc1O)Cc1cc(F)c(cc1F)F
InChI=1SC20H16F3N5O3c13117(29)711(12925284232419(12)28)1816(262720(18)30)610514(22)15(23)813(10)21h258911H67H21H3(H2262730)
methyl3(3hydroxy5(245trifluorobenzyl)1Hpyrazol4yl)3(pyrazolo(15a)pyrimidin3yl)propanoate
methyl3(3oxo5((245trifluorophenyl)methyl)12dihydropyrazol4yl)3pyrazolo(15a)pyrimidin3ylpropanoate
MFCD30705168
ZINC000096224089
ZINC000096224091
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