Vitas-M small molecule compound

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

Catalog ID
STK313607
SMILES COC(=O)c1cccc(c1)Cn1nc(cc1c1cccc(c1)Br)c1cccc(c1)Br

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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 C24H18Br2N2O2 MW 526.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18Br2N2O2/c1-30-24(29)19-8-2-5-16(11-19)15-28-23(18-7-4-10-21(26)13-18)14-22(27-28)17-6-3-9-20(25)12-17/h2-14H,15H2,1H3
InChIKey
XNPCOYHJZFOSEO-UHFFFAOYSA-N
Synonyms
1006315-90-7
1006315907
COC(=O)C1=CC(=CC=C1)CN2C(=CC(=N2)C3=CC(=CC=C3)Br)C4=CC(=CC=C4)Br
InChI=1SC24H18Br2N2O2c13024(29)1982516(1119)152823(18741021(26)1318)1422(2728)1763920(25)1217h214H15H21H3
methyl3((35bis(3bromophenyl)1Hpyrazol1yl)methyl)benzoate
methyl3((35bis(3bromophenyl)pyrazol1yl)methyl)benzoate
MFCD08551205
ZINC000097945423
ZINC97945423

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Available files

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