Vitas-M small molecule compound
(4Z)-4-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK800796
SMILES COc1cc(ccc1OC)c1nn(cc1/C=C/1\C(=O)N(N=C1C(F)(F)F)c1ccccc1)c1ccccc1
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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 C28H21F3N4O3 MW 518.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21F3N4O3/c1-37-23-14-13-18(16-24(23)38-2)25-19(17-34(32-25)20-9-5-3-6-10-20)15-22-26(28(29,30)31)33-35(27(22)36)21-11-7-4-8-12-21/h3-17H,1-2H3/b22-15-InChIKey
PFSDYPBFKFNGRZ-JCMHNJIXSA-NSynonyms
(4Z)4((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)4((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)2phenyl5(trifluoromethyl)pyrazol3one
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C(F)(F)F)C5=CC=CC=C5)OC
COc1cc(ccc1OC)c1nn(cc1C=C1C(=O)N(N=C1C(F)(F)F)c1ccccc1)c1ccccc1
InChI=1SC28H21F3N4O3c13723141318(1624(23)382)2519(1734(3225)2095361020)152226(28(2930)31)3335(27(22)36)21117481221h317H12H3b2215
MFCD03529259
ZINC000016735919
ZINC16735919
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