Vitas-M small molecule compound
8-(5-nitrofuran-2-yl)-5,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL495770
SMILES O=C1NC(=O)N=C2C1NC(=N2)c1ccc(o1)[N+](=O)[O-]
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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 C9H5N5O5 MW 263.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H5N5O5/c15-8-5-7(12-9(16)13-8)11-6(10-5)3-1-2-4(19-3)14(17)18/h1-2,5H,(H2,10,11,12,13,15,16)InChIKey
NJDGWVUCBJLSNG-UHFFFAOYSA-NSynonyms
8(5nitrofuran2yl)57dihydro1Hpurine26dione
8(5NITROFURAN2YL)59DIHYDROPURINE26DIONE
C1=C(OC(=C1)(N+)(=O)(O))C2=NC3C(=NC(=O)NC3=O)N2
InChI=1SC9H5N5O5c15857(129(16)138)116(105)3124(193)14(17)18h125H(H2101112131516)
MFCD04276556
O=C1NC(=O)N=C2C1NC(=N2)c1ccc(o1)(N+)(=O)(O)
ZINC000006059096
ZINC000006059098
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