Vitas-M small molecule compound
(4Z)-4-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK800795
SMILES O=C1N(N=C(/C/1=C/c1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)C(F)(F)F)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 C28H19F3N4O3 MW 516.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19F3N4O3/c29-28(30,31)26-22(27(36)35(33-26)21-9-5-2-6-10-21)15-19-17-34(20-7-3-1-4-8-20)32-25(19)18-11-12-23-24(16-18)38-14-13-37-23/h1-12,15-17H,13-14H2/b22-15-InChIKey
FVGMXKPOFXZFIJ-JCMHNJIXSA-NSynonyms
(4Z)4((3(23DIHYDRO14BENZODIOXIN6YL)1PHENYL1HPYRAZOL4YL)METHYLIDENE)1PHENYL3(TRIFLUOROMETHYL)45DIHYDRO1HPYRAZOL5ONE
(4Z)4((3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)methylidene)2phenyl5(trifluoromethyl)24dihydro3Hpyrazol3one
(4Z)4((3(23dihydro14benzodioxin6yl)1phenylpyrazol4yl)methylidene)2phenyl5(trifluoromethyl)pyrazol3one
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=NN(C4=O)C5=CC=CC=C5)C(F)(F)F)C6=CC=CC=C6
InChI=1SC28H19F3N4O3c2928(3031)2622(27(36)35(3326)2195261021)15191734(207314820)3225(19)1811122324(1618)3814133723h1121517H1314H2b2215
MFCD03529260
O=C1N(N=C(C1=Cc1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)C(F)(F)F)c1ccccc1
ZINC000016735916
ZINC16735916
Check stock
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Check stock on Vitas-MAvailable files
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