Vitas-M small molecule compound
dimethyl 1-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094472
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1nnc(c1C(=O)OC)C(=O)OC
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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 C17H18N4O7 MW 390.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N4O7/c1-4-28-15(23)10-5-7-11(8-6-10)18-12(22)9-21-14(17(25)27-3)13(19-20-21)16(24)26-2/h5-8H,4,9H2,1-3H3,(H,18,22)InChIKey
ATOFJLCZAKDCPT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)OC)C(=O)OC
dimethyl1(2((4(ethoxycarbonyl)phenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
dimethyl1(2(4ethoxycarbonylanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC17H18N4O7c142815(23)105711(8610)1812(22)92114(17(25)273)13(192021)16(24)262h58H49H213H3(H1822)
MFCD14749630
ZINC000009674427
ZINC9674427
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