Vitas-M small molecule compound
(5Z)-5-{[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1-(2-methoxyethyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908834
SMILES COCCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)OCC)c2ccccc2)/C(=C(C1=O)C#N)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 C28H26N4O4 MW 482.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O4/c1-4-36-23-12-10-20(11-13-23)26-21(18-32(30-26)22-8-6-5-7-9-22)16-24-19(2)25(17-29)28(34)31(27(24)33)14-15-35-3/h5-13,16,18H,4,14-15H2,1-3H3/b24-16-InChIKey
GLFICVJAGOCDKT-JLPGSUDCSA-NSynonyms
(5Z)5((3(4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)1(2methoxyethyl)4methyl26dioxo1256tetrahydropyridine3carbonitrile
(5Z)5((3(4ethoxyphenyl)1phenylpyrazol4yl)methylidene)1(2methoxyethyl)4methyl26dioxopyridine3carbonitrile
CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=C(C(=O)N(C3=O)CCOC)C#N)C)C4=CC=CC=C4
COCCN1C(=O)C(=Cc2cn(nc2c2ccc(cc2)OCC)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC28H26N4O4c143623121020(111323)2621(1832(3026)228657922)162419(2)25(1729)28(34)31(27(24)33)1415353h5131618H41415H213H3b2416
MFCD06648122
ZINC000016753101
ZINC16753101
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