Vitas-M small molecule compound

4,4'-({4-[(2-chloro-6-fluorobenzyl)oxy]phenyl}methanediyl)bis(3-methyl-1H-pyrazol-5-ol)

Catalog ID
STK015191
SMILES Fc1cccc(c1COc1ccc(cc1)C(c1c(C)n[nH]c1O)c1c(C)n[nH]c1O)Cl

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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 C22H20ClFN4O3 MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN4O3/c1-11-18(21(29)27-25-11)20(19-12(2)26-28-22(19)30)13-6-8-14(9-7-13)31-10-15-16(23)4-3-5-17(15)24/h3-9,20H,10H2,1-2H3,(H2,25,27,29)(H2,26,28,30)
InChIKey
BBLVBIHSCMRBDT-UHFFFAOYSA-N
Synonyms
432511-58-5
4((4((2CHLORO6FLUOROPHENYL)METHOXY)PHENYL)(3METHYL5OXO12DIHYDROPYRAZOL4YL)METHYL)5METHYL12DIHYDROPYRAZOL3ONE
432511585
44((4((2CHLORO6FLUOROBENZYL)OXY)PHENYL)METHANEDIYL)BIS(3METHYL1HPYRAZOL5OL)
44((4((2chloro6fluorobenzyl)oxy)phenyl)methylene)bis(3methyl1Hpyrazol5ol)
CC1=C(C(=O)NN1)C(C2=CC=C(C=C2)OCC3=C(C=CC=C3Cl)F)C4=C(NNC4=O)C
Fc1cccc(c1COc1ccc(cc1)C(c1c(C)n(nH)c1O)c1c(C)n(nH)c1O)Cl
InChI=1SC22H20ClFN4O3c11118(21(29)272511)20(1912(2)262822(19)30)136814(9713)31101516(23)43517(15)24h3920H10H212H3(H2252729)(H2262830)
MFCD03068402
STK015191
ZINC000008984295
ZINC08984295
ZINC8984295

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Available files

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