Vitas-M small molecule compound
dimethyl 1-{1-[(3,4-dimethylphenyl)amino]-1-oxobutan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094760
SMILES CCC(n1nnc(c1C(=O)OC)C(=O)OC)C(=O)Nc1ccc(c(c1)C)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 C18H22N4O5 MW 374.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O5/c1-6-13(16(23)19-12-8-7-10(2)11(3)9-12)22-15(18(25)27-5)14(20-21-22)17(24)26-4/h7-9,13H,6H2,1-5H3,(H,19,23)InChIKey
ZUTBSVGWNZXKME-UHFFFAOYSA-NSynonyms
CCC(C(=O)NC1=CC(=C(C=C1)C)C)N2C(=C(N=N2)C(=O)OC)C(=O)OC
DIMETHYL1(1(((34DIMETHYLPHENYL)AMINO)CARBONYL)PROPYL)1H123TRIAZOLE45DICARBOXYLATE
dimethyl1(1((34dimethylphenyl)amino)1oxobutan2yl)1H123triazole45dicarboxylate
dimethyl1(1(34dimethylanilino)1oxobutan2yl)triazole45dicarboxylate
InChI=1SC18H22N4O5c1613(16(23)19128710(2)11(3)912)2215(18(25)275)14(202122)17(24)264h7913H6H215H3(H1923)
MFCD14749696
ZINC000004969638
ZINC000004969639
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