Vitas-M small molecule compound
dimethyl 1-{2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094464
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1ccc(c(c1)Cl)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 C15H15ClN4O5 MW 366.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN4O5/c1-8-4-5-9(6-10(8)16)17-11(21)7-20-13(15(23)25-3)12(18-19-20)14(22)24-2/h4-6H,7H2,1-3H3,(H,17,21)InChIKey
ULLISINHFSIAQS-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC)Cl
dimethyl1(2((3chloro4methylphenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
dimethyl1(2(3chloro4methylanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC15H15ClN4O5c18459(610(8)16)1711(21)72013(15(23)253)12(181920)14(22)242h46H7H213H3(H1721)
MFCD14726152
ZINC000004878122
ZINC4878122
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