Vitas-M small molecule compound
4-[(3-{[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}benzyl)oxy]benzonitrile
Catalog ID
STK302549
SMILES N#Cc1ccc(cc1)OCc1cccc(c1)C(=O)N1N=C(CC1(O)C(F)(F)F)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 C20H16F3N3O3 MW 403.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N3O3/c1-13-10-19(28,20(21,22)23)26(25-13)18(27)16-4-2-3-15(9-16)12-29-17-7-5-14(11-24)6-8-17/h2-9,28H,10,12H2,1H3InChIKey
GDQDXDDOYQFKQU-UHFFFAOYSA-NSynonyms
723253-40-54((3((5hydroxy3methyl5(trifluoromethyl)45dihydro1Hpyrazol1yl)carbonyl)benzyl)oxy)benzonitrile
4((3(5HYDROXY3METHYL5(TRIFLUOROMETHYL)4HPYRAZOLE1CARBONYL)PHENYL)METHOXY)BENZONITRILE
723253405
CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)COC3=CC=C(C=C3)C#N
InChI=1SC20H16F3N3O3c1131019(2820(2122)23)26(2513)18(27)1642315(916)1229177514(1124)6817h2928H1012H21H3
MFCD04048355
ZINC000000652905
ZINC000000652909
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