Vitas-M small molecule compound
(2E)-2-[(1-ethyl-1H-pyrazol-4-yl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Catalog ID
STK460476
SMILES N#C/C(=C\c1cnn(c1)CC)/C(=O)C(C)(C)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 C13H17N3O MW 231.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O/c1-5-16-9-10(8-15-16)6-11(7-14)12(17)13(2,3)4/h6,8-9H,5H2,1-4H3/b11-6+InChIKey
UBESXNJLSSWHCM-IZZDOVSWSA-NSynonyms
(2E)2((1ethyl1Hpyrazol4yl)methylidene)44dimethyl3oxopentanenitrile
(2E)2((1ethylpyrazol4yl)methylidene)44dimethyl3oxopentanenitrile
(2E)2(22DIMETHYLPROPANOYL)3(1ETHYLPYRAZOL4YL)PROP2ENENITRILE
CCN1C=C(C=N1)C=C(C#N)C(=O)C(C)(C)C
InChI=1SC13H17N3Oc1516910(81516)611(714)12(17)13(23)4h689H5H214H3b116+
MFCD09560790
N#CC(=Cc1cnn(c1)CC)C(=O)C(C)(C)C
ZINC000016971353
ZINC16971353
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