Vitas-M small molecule compound

methyl 4-(5-oxo-3-phenyl-2,5-dihydro-1H-pyrazol-1-yl)benzoate

Catalog ID
STK350567
SMILES COC(=O)c1ccc(cc1)n1[nH]c(cc1=O)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 C17H14N2O3 MW 294.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O3/c1-22-17(21)13-7-9-14(10-8-13)19-16(20)11-15(18-19)12-5-3-2-4-6-12/h2-11,18H,1H3
InChIKey
XJQPIPVJAZPNAW-UHFFFAOYSA-N
Synonyms
832678-02-1
832678021
COC(=O)C1=CC=C(C=C1)N2C(=O)C=C(N2)C3=CC=CC=C3
COC(=O)c1ccc(cc1)n1(nH)c(cc1=O)c1ccccc1
InChI=1SC17H14N2O3c12217(21)137914(10813)1916(20)1115(1819)125324612h21118H1H3
methyl4(3oxo5phenyl1Hpyrazol2yl)benzoate
methyl4(5oxo3phenyl25dihydro1Hpyrazol1yl)benzoate
METHYL4(5OXO3PHENYL3PYRAZOLINYL)BENZOATE
MFCD02380308
ZINC000002779781
ZINC02779781
ZINC2779781

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Available files

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