Vitas-M small molecule compound

1-benzofuran-2-yl(5-hydroxy-3,5-dimethyl-4,5-dihydro-1H-pyrazol-1-yl)methanone

Catalog ID
STK523910
SMILES CC1=NN(C(C1)(C)O)C(=O)c1cc2c(o1)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 C14H14N2O3 MW 258.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O3/c1-9-8-14(2,18)16(15-9)13(17)12-7-10-5-3-4-6-11(10)19-12/h3-7,18H,8H2,1-2H3
InChIKey
JFLKOMZUUCAXEH-UHFFFAOYSA-N
Synonyms

1benzofuran2yl(5hydroxy35dimethyl45dihydro1Hpyrazol1yl)methanone
1BENZOFURAN2YL(5HYDROXY35DIMETHYL4HPYRAZOL1YL)METHANONE
BENZO(D)FURAN2YL5HYDROXY35DIMETHYL(2PYRAZOLINYL)KETONE
CC1=NN(C(C1)(C)O)C(=O)C2=CC3=CC=CC=C3O2
InChI=1SC14H14N2O3c19814(218)16(159)13(17)12710534611(10)1912h3718H8H212H3
MFCD02110026
ZINC000000034224
ZINC000000034225

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Available files

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