Vitas-M small molecule compound
diethyl 1-{1-[(2-fluorophenyl)amino]-1-oxobutan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094757
SMILES CCOC(=O)c1c(nnn1C(C(=O)Nc1ccccc1F)CC)C(=O)OCC
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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 C18H21FN4O5 MW 392.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21FN4O5/c1-4-13(16(24)20-12-10-8-7-9-11(12)19)23-15(18(26)28-6-3)14(21-22-23)17(25)27-5-2/h7-10,13H,4-6H2,1-3H3,(H,20,24)InChIKey
BVUPEMLDVYKAQP-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC=CC=C1F)N2C(=C(N=N2)C(=O)OCC)C(=O)OCC
DIETHYL1(1(((2FLUOROPHENYL)AMINO)CARBONYL)PROPYL)1H123TRIAZOLE45DICARBOXYLATE
diethyl1(1((2fluorophenyl)amino)1oxobutan2yl)1H123triazole45dicarboxylate
diethyl1(1(2fluoroanilino)1oxobutan2yl)triazole45dicarboxylate
InChI=1SC18H21FN4O5c1413(16(24)20121087911(12)19)2315(18(26)2863)14(212223)17(25)2752h71013H46H213H3(H2024)
MFCD18788184
ZINC000004969644
ZINC000004969645
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