Vitas-M small molecule compound
3-[(3Z)-5-cyano-3-(3-methoxy-4-propoxybenzylidene)-4-methyl-2,6-dioxo-3,6-dihydropyridin-1(2H)-yl]propyl acetate
Catalog ID
STK908193
SMILES CCCOc1ccc(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 C23H26N2O6 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6/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/h7-8,12-13H,5-6,9-11H2,1-4H3/b18-12-InChIKey
UPKWDGRHNGXPFH-PDGQHHTCSA-NSynonyms
3((3Z)5cyano3(3methoxy4propoxybenzylidene)4methyl26dioxo36dihydropyridin1(2H)yl)propylacetate
3((5Z)3cyano5((3methoxy4propoxyphenyl)methylidene)4methyl26dioxopyridin1yl)propylacetate
CCCOC1=C(C=C(C=C1)C=C2C(=C(C(=O)N(C2=O)CCCOC(=O)C)C#N)C)OC
CCCOc1ccc(cc1OC)C=C1C(=O)N(CCCOC(=O)C)C(=O)C(=C1C)C#N
InChI=1SC23H26N2O6c151031208717(1321(20)294)121815(2)19(1424)23(28)25(22(18)27)96113016(3)26h781213H56911H214H3b1812
MFCD18175438
ZINC000044856909
ZINC44856909
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