Vitas-M small molecule compound
(2Z)-4,4-dimethyl-2-{[3-(4-methylphenyl)-1H-pyrazol-4-yl]methylidene}-3-oxopentanenitrile
Catalog ID
STK434556
SMILES N#C/C(=C/c1c[nH]nc1c1ccc(cc1)C)/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 C18H19N3O MW 293.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O/c1-12-5-7-13(8-6-12)16-15(11-20-21-16)9-14(10-19)17(22)18(2,3)4/h5-9,11H,1-4H3,(H,20,21)/b14-9-InChIKey
IIUNFIIJRJRTJT-ZROIWOOFSA-NSynonyms
(2Z)2(22DIMETHYLPROPANOYL)3(3(4METHYLPHENYL)PYRAZOL4YL)PROP2ENENITRILE
(2Z)44dimethyl2((3(4methylphenyl)1Hpyrazol4yl)methylidene)3oxopentanenitrile
(2Z)44dimethyl2((5(4methylphenyl)1Hpyrazol4yl)methylidene)3oxopentanenitrile
CC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)C(C)(C)C
InChI=1SC18H19N3Oc1125713(8612)1615(11202116)914(1019)17(22)18(23)4h5911H14H3(H2021)b149
MFCD04054344
N#CC(=Cc1c(nH)nc1c1ccc(cc1)C)C(=O)C(C)(C)C
ZINC000017023247
ZINC17023247
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