Vitas-M small molecule compound
ethyl 2-({(Z)-[5-cyano-1-(3-methoxypropyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719204
SMILES COCCCN1C(=O)/C(=C\Nc2ccccc2C(=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 C21H23N3O5 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5/c1-4-29-21(27)15-8-5-6-9-18(15)23-13-17-14(2)16(12-22)19(25)24(20(17)26)10-7-11-28-3/h5-6,8-9,13,23H,4,7,10-11H2,1-3H3/b17-13-InChIKey
GEJAABOXRZEVER-LGMDPLHJSA-NSynonyms
(Z)ethyl2(((5cyano1(3methoxypropyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CCOC(=O)C1=CC=CC=C1NC=C2C(=C(C(=O)N(C2=O)CCCOC)C#N)C
COCCCN1C(=O)C(=CNc2ccccc2C(=O)OCC)C(=C(C1=O)C#N)C
ethyl2(((Z)(5cyano1(3methoxypropyl)4methyl26dioxo16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
ethyl2(((Z)(5cyano1(3methoxypropyl)4methyl26dioxopyridin3ylidene)methyl)amino)benzoate
InChI=1SC21H23N3O5c142921(27)15856918(15)23131714(2)16(1222)19(25)24(20(17)26)10711283h56891323H471011H213H3b1713
MFCD08746382
ZINC000009303781
ZINC09303781
ZINC9303781
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