Vitas-M small molecule compound
methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK756048
SMILES COC(=O)c1nnn(c1c1ccc(cc1)[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 C12H9N7O5 MW 331.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9N7O5/c1-23-12(20)8-9(6-2-4-7(5-3-6)19(21)22)18(17-14-8)11-10(13)15-24-16-11/h2-5H,1H3,(H2,13,15)InChIKey
USSMNEOYEOFPBT-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=C(C=C3)(N+)(=O)(O)
COC(=O)c1nnn(c1c1ccc(cc1)(N+)(=O)(O))c1nonc1N
InChI=1SC12H9N7O5c12312(20)89(6247(536)19(21)22)18(17148)1110(13)15241611h25H1H3(H21315)
methyl1(4amino125oxadiazol3yl)5(4nitrophenyl)1H123triazole4carboxylate
METHYL1(4AMINO125OXADIAZOL3YL)5(4NITROPHENYL)TRIAZOLE4CARBOXYLATE
MFCD01240393
ZINC000003663648
ZINC03663648
ZINC3663648
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