Vitas-M small molecule compound
dimethyl 1-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094446
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1ccc(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 C16H18N4O5 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O5/c1-9-5-6-11(10(2)7-9)17-12(21)8-20-14(16(23)25-4)13(18-19-20)15(22)24-3/h5-7H,8H2,1-4H3,(H,17,21)InChIKey
PSPBZBJNKFVCCD-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC)C
dimethyl1(2((24dimethylphenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
DIMETHYL1(2(24DIMETHYLANILINO)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC16H18N4O5c195611(10(2)79)1712(21)82014(16(23)254)13(181920)15(22)243h57H8H214H3(H1721)
MFCD14726023
ZINC000000423081
ZINC423081
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