Vitas-M small molecule compound
ethyl 4-({(Z)-[5-cyano-1-(2-methoxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719219
SMILES COCCN1C(=O)/C(=C\Nc2ccc(cc2)C(=O)OCC)/C(=C(C1=O)C#N)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 C20H21N3O5 MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5/c1-4-28-20(26)14-5-7-15(8-6-14)22-12-17-13(2)16(11-21)18(24)23(19(17)25)9-10-27-3/h5-8,12,22H,4,9-10H2,1-3H3/b17-12-InChIKey
ATFKKMJIZZAHBS-ATVHPVEESA-NSynonyms
(Z)ethyl4(((5cyano1(2methoxyethyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CCOC(=O)C1=CC=C(C=C1)NC=C2C(=C(C(=O)N(C2=O)CCOC)C#N)C
COCCN1C(=O)C(=CNc2ccc(cc2)C(=O)OCC)C(=C(C1=O)C#N)C
ethyl4(((Z)(5cyano1(2methoxyethyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
ethyl4(((Z)(5cyano1(2methoxyethyl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
InChI=1SC20H21N3O5c142820(26)145715(8614)22121713(2)16(1121)18(24)23(19(17)25)910273h581222H4910H213H3b1712
MFCD08748773
ZINC000009341862
ZINC09341862
ZINC9341862
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