Vitas-M small molecule compound
4-bromo-6-nitrospiro[benzimidazole-2,1'-cyclohexane] 1,3-dioxide
Catalog ID
STL322547
SMILES [O-][N+](=O)c1cc(Br)c2=[N+](C3([N+](=c2c1)[O-])CCCCC3)[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 C12H12BrN3O4 MW 342.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12BrN3O4/c13-9-6-8(16(19)20)7-10-11(9)15(18)12(14(10)17)4-2-1-3-5-12/h6-7H,1-5H2InChIKey
AFVFWBAQBNBDFE-UHFFFAOYSA-NSynonyms
368838-71-5(O)(N+)(=O)c1cc(Br)c2=(N+)(C3((N+)(=c2c1)(O))CCCCC3)(O)
368838715
4bromo6nitrospiro(benzimidazole21cyclohexane)13dioxide
4bromo6nitrospiro(benzo(d)imidazole21cyclohexane)13dioxide
7BROMO5NITRO3OXIDOSPIRO(BENZIMIDAZOL1IUM21CYCLOHEXANE)1OXIDE
C1CCC2(CC1)N(C3=CC(=CC(=C3(N+)2=O)Br)(N+)(=O)(O))(O)
InChI=1SC12H12BrN3O4c13968(16(19)20)71011(9)15(18)12(14(10)17)4213512h67H15H2
MFCD00168428
ZINC000033920778
ZINC19325644
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