Vitas-M small molecule compound
3-[(3E)-5-cyano-3-[4-(hexyloxy)-3-methoxybenzylidene]-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908356
SMILES CCCCCCOc1ccc(cc1OC)/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 C26H32N2O6 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O6/c1-5-6-7-8-13-34-23-11-10-20(16-24(23)32-4)15-21-18(2)22(17-27)26(31)28(25(21)30)12-9-14-33-19(3)29/h10-11,15-16H,5-9,12-14H2,1-4H3/b21-15+InChIKey
KOVIGLFLFSBGKA-RCCKNPSSSA-NSynonyms
3((3E)5cyano3(4(hexyloxy)3methoxybenzylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5E)3cyano5((4hexoxy3methoxyphenyl)methylidene)4methyl26dioxopyridin1yl)propylacetate
CCCCCCOC1=C(C=C(C=C1)C=C2C(=C(C(=O)N(C2=O)CCCOC(=O)C)C#N)C)OC
CCCCCCOc1ccc(cc1OC)C=C1C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)C#N
InChI=1SC26H32N2O6c15678133423111020(1624(23)324)152118(2)22(1727)26(31)28(25(21)30)129143319(3)29h10111516H591214H214H3b2115+
MFCD06647767
ZINC000032654876
ZINC32654876
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