Vitas-M small molecule compound
methyl 3-(4-cyanophenyl)-3-[3-hydroxy-5-(2,4,5-trifluorobenzyl)-1H-pyrazol-4-yl]propanoate
Catalog ID
STL410864
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1cc(F)c(cc1F)F)c1ccc(cc1)C#N
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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 C21H16F3N3O3 MW 415.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N3O3/c1-30-19(28)8-14(12-4-2-11(10-25)3-5-12)20-18(26-27-21(20)29)7-13-6-16(23)17(24)9-15(13)22/h2-6,9,14H,7-8H2,1H3,(H2,26,27,29)InChIKey
BXDLMIATEQKHCK-UHFFFAOYSA-NSynonyms
1574401-17-41574401174
COC(=O)CC(C1=CC=C(C=C1)C#N)C2=C(NNC2=O)CC3=CC(=C(C=C3F)F)F
COC(=O)CC(c1c((nH)nc1O)Cc1cc(F)c(cc1F)F)c1ccc(cc1)C#N
InChI=1SC21H16F3N3O3c13019(28)814(124211(1025)3512)2018(262721(20)29)713616(23)17(24)915(13)22h26914H78H21H3(H2262729)
methyl3(4cyanophenyl)3(3hydroxy5(245trifluorobenzyl)1Hpyrazol4yl)propanoate
methyl3(4cyanophenyl)3(3oxo5((245trifluorophenyl)methyl)12dihydropyrazol4yl)propanoate
MFCD30706424
ZINC000096223618
ZINC000096223620
Check stock
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