Vitas-M small molecule compound

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

Catalog ID
STK926539
SMILES Cc1nn(c(c1)C)C(=O)C1COc2c(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/c1-9-7-10(2)16(15-9)14(17)13-8-18-11-5-3-4-6-12(11)19-13/h3-7,13H,8H2,1-2H3
InChIKey
ZLIKDZGZWFHVTO-UHFFFAOYSA-N
Synonyms

(23DIHYDROBENZO(14)DIOXIN2YL)(35DIMETHYLPYRAZOL1YL)METHANONE
23dihydro14benzodioxin2yl(35dimethyl1Hpyrazol1yl)methanone
23DIHYDRO14BENZODIOXIN3YL(35DIMETHYLPYRAZOL1YL)METHANONE
CC1=CC(=NN1C(=O)C2COC3=CC=CC=C3O2)C
InChI=1SC14H14N2O3c19710(2)16(159)14(17)1381811534612(11)1913h3713H8H212H3
MFCD02103875
ZINC000000113807
ZINC000000113810

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Available files

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