Vitas-M small molecule compound
dimethyl 1-{2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094452
SMILES COC(=O)c1n(nnc1C(=O)OC)CC(=O)Nc1cc(Cl)ccc1OC
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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 C15H15ClN4O6 MW 382.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN4O6/c1-24-10-5-4-8(16)6-9(10)17-11(21)7-20-13(15(23)26-3)12(18-19-20)14(22)25-2/h4-6H,7H2,1-3H3,(H,17,21)InChIKey
VRQSYBBPDVUPBO-UHFFFAOYSA-NSynonyms
COC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC
dimethyl1(2((5chloro2methoxyphenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
dimethyl1(2(5chloro2methoxyanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC15H15ClN4O6c12410548(16)69(10)1711(21)72013(15(23)263)12(181920)14(22)252h46H7H213H3(H1721)
MFCD14749640
ZINC000004969593
ZINC4969593
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