Vitas-M small molecule compound
1H-benzimidazol-2-yl(2-hydroxy-3,5-dinitrophenyl)methanone
Catalog ID
STL140864
SMILES [O-][N+](=O)c1cc(C(=O)c2nc3c([nH]2)cccc3)c(c(c1)[N+](=O)[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 C14H8N4O6 MW 328.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H8N4O6/c19-12-8(5-7(17(21)22)6-11(12)18(23)24)13(20)14-15-9-3-1-2-4-10(9)16-14/h1-6,19H,(H,15,16)InChIKey
KWUKAZDHAJVOSJ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(C(=O)c2nc3c((nH)2)cccc3)c(c(c1)(N+)(=O)(O))O
1Hbenzimidazol2yl(2hydroxy35dinitrophenyl)methanone
C1=CC=C2C(=C1)NC(=N2)C(=O)C3=CC(=CC(=C3O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC14H8N4O6c19128(57(17(21)22)611(12)18(23)24)13(20)14159312410(9)1614h1619H(H1516)
MFCD20755129
ZINC000067350999
ZINC67350999
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