Vitas-M small molecule compound
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK756001
SMILES CCOC(=O)c1nnn(c1c1cccc(c1)[N+](=O)[O-])c1nonc1N
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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 C13H11N7O5 MW 345.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N7O5/c1-2-24-13(21)9-10(7-4-3-5-8(6-7)20(22)23)19(18-15-9)12-11(14)16-25-17-12/h3-6H,2H2,1H3,(H2,14,16)InChIKey
MONJPYJSXWFVDW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1nnn(c1c1cccc(c1)(N+)(=O)(O))c1nonc1N
ETHYL1(4AMINO(125OXADIAZOL3YL))5(3NITROPHENYL)123TRIAZOLE4CARBOXYLATE
ethyl1(4amino125oxadiazol3yl)5(3nitrophenyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5(3NITROPHENYL)TRIAZOLE4CARBOXYLATE
InChI=1SC13H11N7O5c122413(21)910(74358(67)20(22)23)19(18159)1211(14)16251712h36H2H21H3(H21416)
MFCD00759739
ZINC000003095481
ZINC03095481
ZINC3095481
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