Vitas-M small molecule compound

3-butyl-5-(dimethylsulfamoyl)-1-ethyl-2-methyl-1H-3,1-benzimidazol-3-ium

Catalog ID
STK396349
SMILES CCCC[n+]1c(C)n(c2c1cc(cc2)S(=O)(=O)N(C)C)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 C16H26N3O2S MW 324.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H26N3O2S/c1-6-8-11-19-13(3)18(7-2)15-10-9-14(12-16(15)19)22(20,21)17(4)5/h9-10,12H,6-8,11H2,1-5H3/q+1
InChIKey
QXYZMJZUUCZLND-UHFFFAOYSA-N
Synonyms

3BUTYL1ETHYLNN2TRIMETHYLBENZIMIDAZOL1IUM5SULFONAMIDE
3butyl5(dimethylsulfamoyl)1ethyl2methyl1H31benzimidazol3ium
CCCC(n+)1c(C)n(c2c1cc(cc2)S(=O)(=O)N(C)C)CC
CCCCN1C(=(N+)(C2=C1C=C(C=C2)S(=O)(=O)N(C)C)CC)C
InChI=1SC16H26N3O2Sc168111913(3)18(72)1510914(1216(15)19)22(2021)17(4)5h91012H6811H215H3q+1
MFCD00623801
ZINC000003127926
ZINC03127926
ZINC3127926

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Available files

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