Vitas-M small molecule compound
3-[(3Z)-5-cyano-3-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908195
SMILES C=CCOc1ccc(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 C23H24N2O6 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O6/c1-5-10-31-20-8-7-17(13-21(20)29-4)12-18-15(2)19(14-24)23(28)25(22(18)27)9-6-11-30-16(3)26/h5,7-8,12-13H,1,6,9-11H2,2-4H3/b18-12-InChIKey
SCXXIJVKSOUQEX-PDGQHHTCSA-NSynonyms
3((3Z)5cyano3(3methoxy4(prop2en1yloxy)benzylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5Z)3cyano5((3methoxy4prop2enoxyphenyl)methylidene)4methyl26dioxopyridin1yl)propylacetate
C=CCOc1ccc(cc1OC)C=C1C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)C#N
CC1=C(C(=O)N(C(=O)C1=CC2=CC(=C(C=C2)OCC=C)OC)CCCOC(=O)C)C#N
InChI=1SC23H24N2O6c151031208717(1321(20)294)121815(2)19(1424)23(28)25(22(18)27)96113016(3)26h5781213H16911H224H3b1812
MFCD18175440
ZINC000016752360
ZINC16752360
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