Vitas-M small molecule compound

methyl 3-{[3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazol-1-yl]methyl}benzoate

Catalog ID
STL414139
SMILES COC(=O)c1cccc(c1)Cn1nc(c(c1c1ccc(cc1)F)C)c1ccc(cc1)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 C25H20F2N2O2 MW 418.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20F2N2O2/c1-16-23(18-6-10-21(26)11-7-18)28-29(24(16)19-8-12-22(27)13-9-19)15-17-4-3-5-20(14-17)25(30)31-2/h3-14H,15H2,1-2H3
InChIKey
JPEFSYBQERLOJP-UHFFFAOYSA-N
Synonyms
1006317-97-0
1006317970
CC1=C(N(N=C1C2=CC=C(C=C2)F)CC3=CC=CC(=C3)C(=O)OC)C4=CC=C(C=C4)F
InChI=1SC25H20F2N2O2c11623(1861021(26)11718)2829(24(16)1981222(27)13919)151743520(1417)25(30)312h314H15H212H3
methyl3((35bis(4fluorophenyl)4methyl1Hpyrazol1yl)methyl)benzoate
methyl3((35bis(4fluorophenyl)4methylpyrazol1yl)methyl)benzoate
MFCD08552803
ZINC000002733580
ZINC02733580
ZINC2733580

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Available files

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