Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK514833
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\C(=O)N(C)C(=O)C(=C1C)C#N)c1ccccc1
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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 C27H24N4O3 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3/c1-5-34-21-11-12-22(17(2)13-21)25-19(16-31(29-25)20-9-7-6-8-10-20)14-23-18(3)24(15-28)27(33)30(4)26(23)32/h6-14,16H,5H2,1-4H3/b23-14-InChIKey
VTWQPAPKRUIDMB-UCQKPKSFSA-NSynonyms
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)14dimethyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3(4ethoxy2methylphenyl)1phenylpyrazol4yl)methylidene)14dimethyl26dioxopyridine3carbonitrile
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)C)C#N)C)C4=CC=CC=C4)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1C(=O)N(C)C(=O)C(=C1C)C#N)c1ccccc1
InChI=1SC27H24N4O3c153421111222(17(2)1321)2519(1631(2925)2097681020)142318(3)24(1528)27(33)30(4)26(23)32h61416H5H214H3b2314
MFCD06644997
ZINC000016741511
ZINC16741511
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