Vitas-M small molecule compound
1,3-diethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
Catalog ID
STL432900
SMILES CCn1c2cc([N+](=O)[O-])c(cc2n(c1=O)CC)S(=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 C11H13N3O6S MW 315.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3O6S/c1-3-12-7-5-9(14(16)17)10(21(18,19)20)6-8(7)13(4-2)11(12)15/h5-6H,3-4H2,1-2H3,(H,18,19,20)InChIKey
IQZLGKDDAXRLTL-UHFFFAOYSA-NSynonyms
13diethyl6nitro2oxo23dihydro1Hbenzimidazole5sulfonicacid
13diethyl6nitro2oxobenzimidazole5sulfonicacid
CCN1C2=CC(=C(C=C2N(C1=O)CC)S(=O)(=O)O)(N+)(=O)(O)
CCn1c2cc((N+)(=O)(O))c(cc2n(c1=O)CC)S(=O)(=O)O
InChI=1SC11H13N3O6Sc1312759(14(16)17)10(21(1819)20)68(7)13(42)11(12)15h56H34H212H3(H181920)
MFCD09221938
ZINC000009879824
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