Vitas-M small molecule compound

methyl 1-(2-bromobenzyl)-1H-pyrazole-3-carboxylate

Catalog ID
STK782868
SMILES COC(=O)c1ccn(n1)Cc1ccccc1Br

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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 C12H11BrN2O2 MW 295.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11BrN2O2/c1-17-12(16)11-6-7-15(14-11)8-9-4-2-3-5-10(9)13/h2-7H,8H2,1H3
InChIKey
KRPYIVVZMCXMGW-UHFFFAOYSA-N
Synonyms

COC(=O)C1=NN(C=C1)CC2=CC=CC=C2Br
InChI=1SC12H11BrN2O2c11712(16)116715(1411)89423510(9)13h27H8H21H3
METHYL1((2BROMOPHENYL)METHYL)PYRAZOLE3CARBOXYLATE
methyl1(2bromobenzyl)1Hpyrazole3carboxylate
MFCD06617067
ZINC000004744261
ZINC04744261
ZINC4744261

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Available files

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