Vitas-M small molecule compound
diethyl 1-{1-[(4-methylphenyl)amino]-1-oxopropan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094778
SMILES CCOC(=O)c1c(nnn1C(C(=O)Nc1ccc(cc1)C)C)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 C18H22N4O5 MW 374.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5/c1-5-26-17(24)14-15(18(25)27-6-2)22(21-20-14)12(4)16(23)19-13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3,(H,19,23)InChIKey
UJDHIYACVQZITF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC2=CC=C(C=C2)C)C(=O)OCC
diethyl1(1((4methylphenyl)amino)1oxopropan2yl)1H123triazole45dicarboxylate
diethyl1(1(4methylanilino)1oxopropan2yl)triazole45dicarboxylate
InChI=1SC18H22N4O5c152617(24)1415(18(25)2762)22(212014)12(4)16(23)19139711(3)81013h71012H56H214H3(H1923)
MFCD14726348
ZINC000004878202
ZINC000004878207
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