Vitas-M small molecule compound

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

Catalog ID
STK313800
SMILES COC(=O)c1cccc(c1)Cn1nc(c(c1c1ccc(cc1)C)Br)c1ccc(cc1)C

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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 C26H23BrN2O2 MW 475.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN2O2/c1-17-7-11-20(12-8-17)24-23(27)25(21-13-9-18(2)10-14-21)29(28-24)16-19-5-4-6-22(15-19)26(30)31-3/h4-15H,16H2,1-3H3
InChIKey
UFLCFCXZYHXLJP-UHFFFAOYSA-N
Synonyms
1006324-47-5
1006324475
CC1=CC=C(C=C1)C2=C(C(=NN2CC3=CC=CC(=C3)C(=O)OC)C4=CC=C(C=C4)C)Br
InChI=1SC26H23BrN2O2c11771120(12817)2423(27)25(2113918(2)101421)29(2824)161954622(1519)26(30)313h415H16H213H3
methyl3((4bromo35bis(4methylphenyl)1Hpyrazol1yl)methyl)benzoate
methyl3((4bromo35bis(4methylphenyl)pyrazol1yl)methyl)benzoate
MFCD08551491
ZINC000013960594
ZINC13960594

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Available files

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