Vitas-M small molecule compound
methyl 2-({(Z)-[1-(butan-2-yl)-5-cyano-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719181
SMILES CCC(N1C(=O)/C(=C\Nc2ccccc2C(=O)OC)/C(=C(C1=O)C#N)C)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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-5-12(2)23-18(24)15(10-21)13(3)16(19(23)25)11-22-17-9-7-6-8-14(17)20(26)27-4/h6-9,11-12,22H,5H2,1-4H3/b16-11-InChIKey
ITPAREVYHFKBMX-WJDWOHSUSA-NSynonyms
(Z)methyl2(((1(secbutyl)5cyano4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CCC(C)N1C(=O)C(=CNC2=CC=CC=C2C(=O)OC)C(=C(C1=O)C#N)C
CCC(N1C(=O)C(=CNc2ccccc2C(=O)OC)C(=C(C1=O)C#N)C)C
InChI=1SC20H21N3O4c1512(2)2318(24)15(1021)13(3)16(19(23)25)112217976814(17)20(26)274h69111222H5H214H3b1611
methyl2(((Z)(1(butan2yl)5cyano4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl2(((Z)(1butan2yl5cyano4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD09795510
ZINC000009421890
ZINC000009421891
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