Vitas-M small molecule compound

methyl 1-(1H-benzimidazol-2-yl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate

Catalog ID
STK785258
SMILES COC(=O)c1[nH]n(c(=O)c1)c1nc2c([nH]1)cccc2

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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 C12H10N4O3 MW 258.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10N4O3/c1-19-11(18)9-6-10(17)16(15-9)12-13-7-4-2-3-5-8(7)14-12/h2-6,15H,1H3,(H,13,14)
InChIKey
OHZKACYDVBTBCD-UHFFFAOYSA-N
Synonyms

1HPYRAZOLE3CARBOXYLICACID1(1H13BENZIMIDAZOL2YL)25DIHYDRO5OXOMETHYLESTER
COC(=O)c1(nH)n(c(=O)c1)c1nc2c((nH)1)cccc2
COC(=O)C1=CC(=O)N(N1)C2=NC3=CC=CC=C3N2
InChI=1SC12H10N4O3c11911(18)9610(17)16(159)1213742358(7)1412h2615H1H3(H1314)
methyl1(1Hbenzimidazol2yl)5oxo25dihydro1Hpyrazole3carboxylate
METHYL1BENZIMIDAZOL2YL5OXO3PYRAZOLINE3CARBOXYLATE
METHYL2(1HBENZIMIDAZOL2YL)3OXO1HPYRAZOLE5CARBOXYLATE
MFCD07657943
ZINC000004629791
ZINC04629791
ZINC4629791

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Available files

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