Vitas-M small molecule compound

4,4'-({2-[(4-fluorobenzyl)oxy]phenyl}methanediyl)bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK009778
SMILES Fc1ccc(cc1)COc1ccccc1C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O

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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 C22H21FN4O3 MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O3/c1-12-18(21(28)26-24-12)20(19-13(2)25-27-22(19)29)16-5-3-4-6-17(16)30-11-14-7-9-15(23)10-8-14/h3-10,20H,11H2,1-2H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
WQONJNXINZFPCH-UHFFFAOYSA-N
Synonyms
433973-47-8
4((2((4FLUOROPHENYL)METHOXY)PHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
4((2((4FLUOROPHENYL)METHOXY)PHENYL)(5HYDROXY3METHYLPYRAZOL4YL)METHYL)3METHYLPYRAZOL5OL
433973478
44((2((4FLUOROBENZYL)OXY)PHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
44((2((4fluorobenzyl)oxy)phenyl)methylene)bis(3methyl1Hpyrazol5ol)
CC1=C(C(=O)NN1)C(C2=CC=CC=C2OCC3=CC=C(C=C3)F)C4=C(NNC4=O)C
Fc1ccc(cc1)COc1ccccc1C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O
InChI=1SC22H21FN4O3c11218(21(28)262412)20(1913(2)252722(19)29)16534617(16)3011147915(23)10814h31020H11H212H3(H2242628)(H2252729)
MFCD03159308
STK009778
ZINC000020066092
ZINC20066092

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.