Vitas-M small molecule compound
dimethyl 1-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094530
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=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 C14H13FN4O5 MW 336.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13FN4O5/c1-23-13(21)11-12(14(22)24-2)19(18-17-11)7-10(20)16-9-5-3-8(15)4-6-9/h3-6H,7H2,1-2H3,(H,16,20)InChIKey
MPPGHBWBGCNRIW-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(N=N1)CC(=O)NC2=CC=C(C=C2)F)C(=O)OC
dimethyl1(2((4fluorophenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
DIMETHYL1(2(4FLUOROANILINO)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC14H13FN4O5c12313(21)1112(14(22)242)19(181711)710(20)169538(15)469h36H7H212H3(H1620)
MFCD14749628
ZINC000000428818
ZINC428818
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