Vitas-M small molecule compound
methyl 3-{3-hydroxy-5-[4-(trifluoromethoxy)benzyl]-1H-pyrazol-4-yl}-3-(pyridin-4-yl)propanoate
Catalog ID
STL407291
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccc(cc1)OC(F)(F)F)c1ccncc1
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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 C20H18F3N3O4 MW 421.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18F3N3O4/c1-29-17(27)11-15(13-6-8-24-9-7-13)18-16(25-26-19(18)28)10-12-2-4-14(5-3-12)30-20(21,22)23/h2-9,15H,10-11H2,1H3,(H2,25,26,28)InChIKey
JWTOJLUWTZLLFW-UHFFFAOYSA-NSynonyms
1574294-34-01574294340
COC(=O)CC(C1=CC=NC=C1)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)c1ccncc1
InChI=1SC20H18F3N3O4c12917(27)1115(1368249713)1816(252619(18)28)10122414(5312)3020(2122)23h2915H1011H21H3(H2252628)
methyl3(3hydroxy5(4(trifluoromethoxy)benzyl)1Hpyrazol4yl)3(pyridin4yl)propanoate
methyl3(3oxo5((4(trifluoromethoxy)phenyl)methyl)12dihydropyrazol4yl)3pyridin4ylpropanoate
MFCD30704672
ZINC000096223669
ZINC000096223670
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