Vitas-M small molecule compound

methyl [1-(3-chlorophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate

Catalog ID
STK695457
SMILES COC(=O)CC1=NN(C(=O)C1)c1cccc(c1)Cl

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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 C12H11ClN2O3 MW 266.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11ClN2O3/c1-18-12(17)7-9-6-11(16)15(14-9)10-4-2-3-8(13)5-10/h2-5H,6-7H2,1H3
InChIKey
JWBKAAGVPYZHNV-UHFFFAOYSA-N
Synonyms

COC(=O)CC1=NN(C(=O)C1)C2=CC(=CC=C2)Cl
InChI=1SC12H11ClN2O3c11812(17)79611(16)15(149)104238(13)510h25H67H21H3
methyl(1(3chlorophenyl)5oxo45dihydro1Hpyrazol3yl)acetate
METHYL2(1(3CHLOROPHENYL)5OXO2PYRAZOLIN3YL)ACETATE
METHYL2(1(3CHLOROPHENYL)5OXO4HPYRAZOL3YL)ACETATE
MFCD11983330
ZINC000100022360
ZINC100022360

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Available files

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