Vitas-M small molecule compound
1,3-diethyl-5-nitro-6-(phenylsulfanyl)-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL432924
SMILES CCn1c(=O)n(c2c1cc(Sc1ccccc1)c(c2)[N+](=O)[O-])CC
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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 C17H17N3O3S MW 343.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O3S/c1-3-18-13-10-15(20(22)23)16(24-12-8-6-5-7-9-12)11-14(13)19(4-2)17(18)21/h5-11H,3-4H2,1-2H3InChIKey
GKPUSGDAMCGIBH-UHFFFAOYSA-NSynonyms
13diethyl5nitro6(phenylsulfanyl)13dihydro2Hbenzimidazol2one
13diethyl5nitro6phenylsulfanylbenzimidazol2one
CCn1c(=O)n(c2c1cc(Sc1ccccc1)c(c2)(N+)(=O)(O))CC
CCN1C2=CC(=C(C=C2N(C1=O)CC)SC3=CC=CC=C3)(N+)(=O)(O)
InChI=1SC17H17N3O3Sc1318131015(20(22)23)16(24128657912)1114(13)19(42)17(18)21h511H34H212H3
MFCD09221964
ZINC000009879954
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