Vitas-M small molecule compound
methyl 4-({(Z)-[5-cyano-4-methyl-1-(2-methylpropyl)-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719177
SMILES COC(=O)c1ccc(cc1)N/C=C/1\C(=O)N(CC(C)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 C20H21N3O4 MW 367.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O4/c1-12(2)11-23-18(24)16(9-21)13(3)17(19(23)25)10-22-15-7-5-14(6-8-15)20(26)27-4/h5-8,10,12,22H,11H2,1-4H3/b17-10-InChIKey
PAXIHTRUWNIXJS-YVLHZVERSA-NSynonyms
(Z)methyl4(((5cyano1isobutyl4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CC1=C(C(=O)N(C(=O)C1=CNC2=CC=C(C=C2)C(=O)OC)CC(C)C)C#N
COC(=O)c1ccc(cc1)NC=C1C(=O)N(CC(C)C)C(=O)C(=C1C)C#N
InChI=1SC20H21N3O4c112(2)112318(24)16(921)13(3)17(19(23)25)1022157514(6815)20(26)274h58101222H11H214H3b1710
methyl4(((Z)(5cyano4methyl1(2methylpropyl)26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
methyl4(((Z)(5cyano4methyl1(2methylpropyl)26dioxopyridin3ylidene)methyl)amino)benzoate
MFCD09797241
ZINC000008990536
ZINC08990536
ZINC8990536
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