Vitas-M small molecule compound
4,6-dinitro-5-(phenylamino)-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL431194
SMILES O=c1[nH]c2c([nH]1)cc(c(c2[N+](=O)[O-])Nc1ccccc1)[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 C13H9N5O5 MW 315.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H9N5O5/c19-13-15-8-6-9(17(20)21)11(12(18(22)23)10(8)16-13)14-7-4-2-1-3-5-7/h1-6,14H,(H2,15,16,19)InChIKey
FPOLCKDXGIACSF-UHFFFAOYSA-NSynonyms
46dinitro5(phenylamino)13dihydro2Hbenzimidazol2one
46DINITRO5(PHENYLAMINO)3HYDROBENZIMIDAZOL2ONE
5anilino46dinitro13dihydrobenzimidazol2one
C1=CC=C(C=C1)NC2=C(C=C3C(=C2(N+)(=O)(O))NC(=O)N3)(N+)(=O)(O)
InChI=1SC13H9N5O5c191315869(17(20)21)11(12(18(22)23)10(8)1613)147421357h1614H(H2151619)
MFCD00399871
O=c1(nH)c2c((nH)1)cc(c(c2(N+)(=O)(O))Nc1ccccc1)(N+)(=O)(O)
ZINC000005390992
ZINC5390992
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