Vitas-M small molecule compound
2-[(3Z)-5-cyano-3-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]ethyl acetate
Catalog ID
STK908810
SMILES N#CC1=C(C)/C(=C/c2cn(nc2c2ccccc2)c2ccccc2)/C(=O)N(C1=O)CCOC(=O)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 C27H22N4O4 MW 466.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O4/c1-18-23(26(33)30(13-14-35-19(2)32)27(34)24(18)16-28)15-21-17-31(22-11-7-4-8-12-22)29-25(21)20-9-5-3-6-10-20/h3-12,15,17H,13-14H2,1-2H3/b23-15-InChIKey
QRAIMRNLDRLHTQ-HAHDFKILSA-NSynonyms
2((3Z)5cyano3((13diphenyl1Hpyrazol4yl)methylidene)4methyl26dioxo36dihydropyridin1(2H)yl)ethylacetate
2((5Z)3cyano5((13diphenylpyrazol4yl)methylidene)4methyl26dioxopyridin1yl)ethylacetate
CC1=C(C(=O)N(C(=O)C1=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CCOC(=O)C)C#N
InChI=1SC27H22N4O4c11823(26(33)30(13143519(2)32)27(34)24(18)1628)15211731(22117481222)2925(21)2095361020h3121517H1314H212H3b2315
MFCD06648098
N#CC1=C(C)C(=Cc2cn(nc2c2ccccc2)c2ccccc2)C(=O)N(C1=O)CCOC(=O)C
ZINC000016753042
ZINC16753042
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