Vitas-M small molecule compound
ethyl 3-(dicyanomethylidene)-8-[4-(dimethylamino)phenyl]-1-methyl-5-oxo-2,6-diazabicyclo[2.2.2]octane-7-carboxylate
Catalog ID
STL434113
SMILES CCOC(=O)C1C(c2ccc(cc2)N(C)C)C2C(=O)NC1(C)NC2=C(C#N)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 C21H23N5O3 MW 393.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3/c1-5-29-20(28)17-15(12-6-8-14(9-7-12)26(3)4)16-18(13(10-22)11-23)24-21(17,2)25-19(16)27/h6-9,15-17,24H,5H2,1-4H3,(H,25,27)InChIKey
ZSXYJYXZWGNNMC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(C2C(=C(C#N)C#N)NC1(NC2=O)C)C3=CC=C(C=C3)N(C)C
ethyl3(dicyanomethylidene)8(4(dimethylamino)phenyl)1methyl5oxo26diazabicyclo(222)octane7carboxylate
ethyl6(dicyanomethylidene)7(4(dimethylamino)phenyl)4methyl2oxo35diazabicyclo(222)octane8carboxylate
InChI=1SC21H23N5O3c152920(28)1715(126814(9712)26(3)4)1618(13(1022)1123)2421(172)2519(16)27h69151724H5H214H3(H2527)
MFCD26098508
ZINC000100253697
ZINC000100253712
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