Vitas-M small molecule compound
dimethyl 1-{2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094458
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1c(C)cc(cc1C)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 C17H20N4O5 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20N4O5/c1-9-6-10(2)13(11(3)7-9)18-12(22)8-21-15(17(24)26-5)14(19-20-21)16(23)25-4/h6-7H,8H2,1-5H3,(H,18,22)InChIKey
UUJXYKKGBDXOOO-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C(=C1)C)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC)C
dimethyl1(2oxo2((246trimethylphenyl)amino)ethyl)1H123triazole45dicarboxylate
dimethyl1(2oxo2(246trimethylanilino)ethyl)triazole45dicarboxylate
InChI=1SC17H20N4O5c19610(2)13(11(3)79)1812(22)82115(17(24)265)14(192021)16(23)254h67H8H215H3(H1822)
MFCD14726024
ZINC000003906878
ZINC3906878
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