Vitas-M small molecule compound

dimethyl 1-{1-[(2-methoxy-5-methylphenyl)amino]-1-oxobutan-2-yl}-1H-1,2,3-triazole-4,5-dicarboxylate

Catalog ID
STL094756
SMILES COC(=O)c1n(nnc1C(=O)OC)C(C(=O)Nc1cc(C)ccc1OC)CC

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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 C18H22N4O6 MW 390.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O6/c1-6-12(16(23)19-11-9-10(2)7-8-13(11)26-3)22-15(18(25)28-5)14(20-21-22)17(24)27-4/h7-9,12H,6H2,1-5H3,(H,19,23)
InChIKey
QZTGYUUHJUYHNU-UHFFFAOYSA-N
Synonyms

CCC(C(=O)NC1=C(C=CC(=C1)C)OC)N2C(=C(N=N2)C(=O)OC)C(=O)OC
DIMETHYL1(1(((2METHOXY5METHYLPHENYL)AMINO)CARBONYL)PROPYL)1H123TRIAZOLE45DICARBOXYLATE
dimethyl1(1((2methoxy5methylphenyl)amino)1oxobutan2yl)1H123triazole45dicarboxylate
dimethyl1(1(2methoxy5methylanilino)1oxobutan2yl)triazole45dicarboxylate
InChI=1SC18H22N4O6c1612(16(23)1911910(2)7813(11)263)2215(18(25)285)14(202122)17(24)274h7912H6H215H3(H1923)
MFCD14749694
ZINC000004969634
ZINC000004969635

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Available files

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