Vitas-M small molecule compound
diethyl 1-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094529
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)Nc1ccc(c(c1)F)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 C17H19FN4O5 MW 378.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FN4O5/c1-4-26-16(24)14-15(17(25)27-5-2)22(21-20-14)9-13(23)19-11-7-6-10(3)12(18)8-11/h6-8H,4-5,9H2,1-3H3,(H,19,23)InChIKey
BGXQCNKKCQSBMP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)CC(=O)NC2=CC(=C(C=C2)C)F)C(=O)OCC
diethyl1(2((3fluoro4methylphenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
DIETHYL1(2(3FLUORO4METHYLANILINO)2OXOETHYL)TRIAZOLE45DICARBOXYLATE
InChI=1SC17H19FN4O5c142616(24)1415(17(25)2752)22(212014)913(23)19117610(3)12(18)811h68H459H213H3(H1923)
MFCD14726132
ZINC000004078137
ZINC4078137
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