Vitas-M small molecule compound
ethyl 2-({(Z)-[5-cyano-4-methyl-2,6-dioxo-1-(tetrahydrofuran-2-ylmethyl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)benzoate
Catalog ID
STK719211
SMILES CCOC(=O)c1ccccc1N/C=C/1\C(=O)N(CC2CCCO2)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 C22H23N3O5 MW 409.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5/c1-3-29-22(28)16-8-4-5-9-19(16)24-12-18-14(2)17(11-23)20(26)25(21(18)27)13-15-7-6-10-30-15/h4-5,8-9,12,15,24H,3,6-7,10,13H2,1-2H3/b18-12-InChIKey
URSHTHXYBGXHRW-PDGQHHTCSA-NSynonyms
(Z)ethyl2(((5cyano4methyl26dioxo1((tetrahydrofuran2yl)methyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
CCOC(=O)C1=CC=CC=C1NC=C2C(=C(C(=O)N(C2=O)CC3CCCO3)C#N)C
CCOC(=O)c1ccccc1NC=C1C(=O)N(CC2CCCO2)C(=O)C(=C1C)C#N
ethyl2(((Z)(5cyano4methyl26dioxo1(oxolan2ylmethyl)pyridin3ylidene)methyl)amino)benzoate
ethyl2(((Z)(5cyano4methyl26dioxo1(tetrahydrofuran2ylmethyl)16dihydropyridin3(2H)ylidene)methyl)amino)benzoate
InChI=1SC22H23N3O5c132922(28)16845919(16)24121814(2)17(1123)20(26)25(21(18)27)131576103015h4589121524H3671013H212H3b1812
MFCD08744083
ZINC000009060812
ZINC000009060813
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