Vitas-M small molecule compound
(5Z)-1-(2-methoxyethyl)-4-methyl-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK908833
SMILES COCCN1C(=O)/C(=C\c2cn(nc2c2ccc(cc2)C)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 C27H24N4O3 MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O3/c1-18-9-11-20(12-10-18)25-21(17-31(29-25)22-7-5-4-6-8-22)15-23-19(2)24(16-28)27(33)30(26(23)32)13-14-34-3/h4-12,15,17H,13-14H2,1-3H3/b23-15-InChIKey
KTKRRJKIOQEQIA-HAHDFKILSA-NSynonyms
(5Z)1(2methoxyethyl)4methyl5((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)26dioxo1256tetrahydropyridine3carbonitrile
(5Z)1(2methoxyethyl)4methyl5((3(4methylphenyl)1phenylpyrazol4yl)methylidene)26dioxopyridine3carbonitrile
CC1=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)C)c2ccccc2)C(=C(C1=O)C#N)C
InChI=1SC27H24N4O3c11891120(121018)2521(1731(2925)227546822)152319(2)24(1628)27(33)30(26(23)32)1314343h4121517H1314H213H3b2315
MFCD06648121
ZINC000016753098
ZINC16753098
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