Vitas-M small molecule compound

3-oxo-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanenitrile

Catalog ID
STK352665
SMILES N#CCC(=O)c1c(C)nn(c1C)C

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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 C9H11N3O MW 177.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H11N3O/c1-6-9(8(13)4-5-10)7(2)12(3)11-6/h4H2,1-3H3
InChIKey
KGNFWMCFDNESHB-UHFFFAOYSA-N
Synonyms
158387-00-9
158387009
3oxo3(135trimethyl1Hpyrazol4yl)propanenitrile
3OXO3(135TRIMETHYLPYRAZOL4YL)PROPANENITRILE
CC1=C(C(=NN1C)C)C(=O)CC#N
InChI=1SC9H11N3Oc169(8(13)4510)7(2)12(3)116h4H213H3
MFCD09834160
ZINC000012397791
ZINC12397791

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Available files

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