Vitas-M small molecule compound
2-[(3Z)-5-cyano-3-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]ethyl acetate
Catalog ID
STK908819
SMILES N#CC1=C(C)/C(=C/c2ccc(o2)c2ccc(cc2Cl)Cl)/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 C22H16Cl2N2O5 MW 459.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16Cl2N2O5/c1-12-17(21(28)26(7-8-30-13(2)27)22(29)18(12)11-25)10-15-4-6-20(31-15)16-5-3-14(23)9-19(16)24/h3-6,9-10H,7-8H2,1-2H3/b17-10-InChIKey
LWTGSZIAHOMKEE-YVLHZVERSA-NSynonyms
2((3Z)5cyano3((5(24dichlorophenyl)furan2yl)methylidene)4methyl26dioxo36dihydropyridin1(2H)yl)ethylacetate
2((5Z)3cyano5((5(24dichlorophenyl)furan2yl)methylidene)4methyl26dioxopyridin1yl)ethylacetate
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CCOC(=O)C)C#N
InChI=1SC22H16Cl2N2O5c11217(21(28)26(783013(2)27)22(29)18(12)1125)10154620(3115)165314(23)919(16)24h36910H78H212H3b1710
MFCD06648107
N#CC1=C(C)C(=Cc2ccc(o2)c2ccc(cc2Cl)Cl)C(=O)N(C1=O)CCOC(=O)C
ZINC000016753060
ZINC16753060
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