Vitas-M small molecule compound
5-(butylsulfanyl)-1,3-dimethyl-6-nitro-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL432921
SMILES CCCCSc1cc2c(cc1[N+](=O)[O-])n(c(=O)n2C)C
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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 C13H17N3O3S MW 295.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3O3S/c1-4-5-6-20-12-8-10-9(7-11(12)16(18)19)14(2)13(17)15(10)3/h7-8H,4-6H2,1-3H3InChIKey
KZZHQGONVVXBMU-UHFFFAOYSA-NSynonyms
5(butylsulfanyl)13dimethyl6nitro13dihydro2Hbenzimidazol2one
5butylsulfanyl13dimethyl6nitrobenzimidazol2one
CCCCSC1=C(C=C2C(=C1)N(C(=O)N2C)C)(N+)(=O)(O)
CCCCSc1cc2c(cc1(N+)(=O)(O))n(c(=O)n2C)C
InChI=1SC13H17N3O3Sc145620128109(711(12)16(18)19)14(2)13(17)15(10)3h78H46H213H3
MFCD09221961
ZINC000009879945
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