Vitas-M small molecule compound
dimethyl 1-{1-[(4-fluorophenyl)amino]-1-oxobutan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094752
SMILES CCC(n1nnc(c1C(=O)OC)C(=O)OC)C(=O)Nc1ccc(cc1)F
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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 C16H17FN4O5 MW 364.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17FN4O5/c1-4-11(14(22)18-10-7-5-9(17)6-8-10)21-13(16(24)26-3)12(19-20-21)15(23)25-2/h5-8,11H,4H2,1-3H3,(H,18,22)InChIKey
MIJROOIOBSUKGM-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC=C(C=C1)F)N2C(=C(N=N2)C(=O)OC)C(=O)OC
DIMETHYL1(1(((4FLUOROPHENYL)AMINO)CARBONYL)PROPYL)1H123TRIAZOLE45DICARBOXYLATE
dimethyl1(1((4fluorophenyl)amino)1oxobutan2yl)1H123triazole45dicarboxylate
dimethyl1(1(4fluoroanilino)1oxobutan2yl)triazole45dicarboxylate
InChI=1SC16H17FN4O5c1411(14(22)1810759(17)6810)2113(16(24)263)12(192021)15(23)252h5811H4H213H3(H1822)
MFCD14749690
ZINC000004969628
ZINC000004969629
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