Vitas-M small molecule compound
3-[(3Z)-5-cyano-3-(3,4-diethoxybenzylidene)-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908614
SMILES CCOc1cc(ccc1OCC)/C=C/1\C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)C#N
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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 C23H26N2O6 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6/c1-5-29-20-9-8-17(13-21(20)30-6-2)12-18-15(3)19(14-24)23(28)25(22(18)27)10-7-11-31-16(4)26/h8-9,12-13H,5-7,10-11H2,1-4H3/b18-12-InChIKey
CIJJETYSOGQVNG-PDGQHHTCSA-NSynonyms
3((3Z)5cyano3(34diethoxybenzylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5Z)3cyano5((34diethoxyphenyl)methylidene)4methyl26dioxopyridin1yl)propylacetate
CCOC1=C(C=C(C=C1)C=C2C(=C(C(=O)N(C2=O)CCCOC(=O)C)C#N)C)OCC
CCOc1cc(ccc1OCC)C=C1C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)C#N
InChI=1SC23H26N2O6c1529209817(1321(20)3062)121815(3)19(1424)23(28)25(22(18)27)107113116(4)26h891213H571011H214H3b1812
MFCD06647963
ZINC000016806497
ZINC16806497
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