Vitas-M small molecule compound
[3-(difluoromethoxy)phenyl][3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
Catalog ID
STK889300
SMILES FC(Oc1cccc(c1)C(=O)N1N=C(CC1c1ccccc1O)c1ccc2c(c1)OCCO2)F
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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 C25H20F2N2O5 MW 466.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F2N2O5/c26-25(27)34-17-5-3-4-16(12-17)24(31)29-20(18-6-1-2-7-21(18)30)14-19(28-29)15-8-9-22-23(13-15)33-11-10-32-22/h1-9,12-13,20,25,30H,10-11,14H2InChIKey
FOKGDWPSXNCWCJ-UHFFFAOYSA-NSynonyms
(3(difluoromethoxy)phenyl)(3(23dihydro14benzodioxin6yl)5(2hydroxyphenyl)45dihydro1Hpyrazol1yl)methanone
(3(DIFLUOROMETHOXY)PHENYL)(5(23DIHYDRO14BENZODIOXIN6YL)3(2HYDROXYPHENYL)34DIHYDROPYRAZOL2YL)METHANONE
C1COC2=C(O1)C=CC(=C2)C3=NN(C(C3)C4=CC=CC=C4O)C(=O)C5=CC(=CC=C5)OC(F)F
InChI=1SC25H20F2N2O5c2625(27)341753416(1217)24(31)2920(18612721(18)30)1419(2829)15892223(1315)3311103222h191213202530H101114H2
MFCD03489688
ZINC000020494903
ZINC000020494905
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