Vitas-M small molecule compound
3-[(3E)-5-cyano-3-[(2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908358
SMILES N#CC1=C(C)/C(=C\C=C\c2ccccc2OC)/C(=O)N(C1=O)CCCOC(=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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-15-18(10-6-9-17-8-4-5-11-20(17)28-3)21(26)24(22(27)19(15)14-23)12-7-13-29-16(2)25/h4-6,8-11H,7,12-13H2,1-3H3/b9-6+,18-10+InChIKey
FNZUCDRZILBPTR-XICJKMHVSA-NSynonyms
3((3E)5cyano3((2E)3(2methoxyphenyl)prop2en1ylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5E)3cyano5((E)3(2methoxyphenyl)prop2enylidene)4methyl26dioxopyridin1yl)propylacetate
CC1=C(C(=O)N(C(=O)C1=CC=CC2=CC=CC=C2OC)CCCOC(=O)C)C#N
InChI=1SC22H22N2O5c11518(1069178451120(17)283)21(26)24(22(27)19(15)1423)127132916(2)25h46811H71213H213H3b96+1810+
MFCD06647769
N#CC1=C(C)C(=CC=Cc2ccccc2OC)C(=O)N(C1=O)CCCOC(=O)C
ZINC000100963465
ZINC100963465
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