Vitas-M small molecule compound
methyl 3-{3-hydroxy-5-[4-(trifluoromethoxy)benzyl]-1H-pyrazol-4-yl}-3-(1-methyl-1H-pyrazol-4-yl)propanoate
Catalog ID
STL410917
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc(cc1)OC(F)(F)F)c1cnn(c1)C
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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 C19H19F3N4O4 MW 424.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19F3N4O4/c1-26-10-12(9-23-26)14(8-16(27)29-2)17-15(24-25-18(17)28)7-11-3-5-13(6-4-11)30-19(20,21)22/h3-6,9-10,14H,7-8H2,1-2H3,(H2,24,25,28)InChIKey
NQWMLXHYGKTPNO-UHFFFAOYSA-NSynonyms
1574302-35-41574302354
CN1C=C(C=N1)C(CC(=O)OC)C2=C(NNC2=O)CC3=CC=C(C=C3)OC(F)(F)F
COC(=O)CC(c1c((nH)nc1O)Cc1ccc(cc1)OC(F)(F)F)c1cnn(c1)C
InChI=1SC19H19F3N4O4c1261012(92326)14(816(27)292)1715(242518(17)28)7113513(6411)3019(2021)22h3691014H78H212H3(H2242528)
methyl3(1methylpyrazol4yl)3(3oxo5((4(trifluoromethoxy)phenyl)methyl)12dihydropyrazol4yl)propanoate
methyl3(3hydroxy5(4(trifluoromethoxy)benzyl)1Hpyrazol4yl)3(1methyl1Hpyrazol4yl)propanoate
MFCD30706452
ZINC000096230815
ZINC000096230816
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