Vitas-M small molecule compound

methyl (5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)acetate

Catalog ID
STK858374
SMILES COC(=O)Cc1cc(=O)n([nH]1)c1ccccc1

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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 C12H12N2O3 MW 232.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O3/c1-17-12(16)8-9-7-11(15)14(13-9)10-5-3-2-4-6-10/h2-7,13H,8H2,1H3
InChIKey
JZDMZJKOTLJYSI-UHFFFAOYSA-N
Synonyms
523992-03-2
(5HYDROXY1PHENYL1HPYRAZOL3YL)ACETICACIDMETHYLESTER
1HPYRAZOLE3ACETICACID25DIHYDRO5OXO1PHENYLMETHYLESTER
2(3OXO2PHENYL1HPYRAZOL5YL)ACETICACIDMETHYLESTER
2(5KETO1PHENYL3PYRAZOLIN3YL)ACETICACIDMETHYLESTER
523992032
COC(=O)CC1=CC(=O)N(N1)C2=CC=CC=C2
COC(=O)Cc1cc(=O)n((nH)1)c1ccccc1
InChI=1SC12H12N2O3c11712(16)89711(15)14(139)105324610h2713H8H21H3
methyl(5oxo1phenyl25dihydro1Hpyrazol3yl)acetate
METHYL2(3OXIDANYLIDENE2PHENYL1HPYRAZOL5YL)ETHANOATE
METHYL2(3OXO2PHENYL1HPYRAZOL5YL)ACETATE
METHYL2(5HYDROXY1PHENYLPYRAZOL3YL)ACETATE
METHYL2(5OXO1PHENYL25DIHYDRO1HPYRAZOL3YL)ACETATE
MFCD06655649
ZINC000004206164
ZINC04206164
ZINC100124833
ZINC4206164

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Available files

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