Vitas-M small molecule compound

methyl 3-[(4-chlorophenyl)carbamoyl]-1-methyl-1H-pyrazole-5-carboxylate

Catalog ID
STK502052
SMILES COC(=O)c1cc(nn1C)C(=O)Nc1ccc(cc1)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 C13H12BrN3O3 MW 338.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12BrN3O3/c1-17-11(13(19)20-2)7-10(16-17)12(18)15-9-5-3-8(14)4-6-9/h3-7H,1-2H3,(H,15,18)
InChIKey
ISMUDMFFEHKKHY-UHFFFAOYSA-N
Synonyms

1HPYRAZOLE5CARBOXYLICACID3(((4BROMOPHENYL)AMINO)CARBONYL)1METHYLMETHYLESTER
CN1C(=CC(=N1)C(=O)NC2=CC=C(C=C2)Br)C(=O)OC
InChI=1SC13H12BrN3O3c11711(13(19)202)710(1617)12(18)159538(14)469h37H12H3(H1518)
methyl3((4chlorophenyl)carbamoyl)1methyl1Hpyrazole5carboxylate
METHYL5((4BROMOPHENYL)CARBAMOYL)2METHYLPYRAZOLE3CARBOXYLATE
MFCD07022432
ZINC000004770208
ZINC04770208
ZINC4770208

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Available files

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