Vitas-M small molecule compound
3-(1-ethyl-2-methyl-5-phenyl-1H-3,1-benzimidazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK874203
SMILES CCn1c(C)[n+](c2c1ccc(c2)c1ccccc1)CCCS(=O)(=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 C19H22N2O3S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S/c1-3-20-15(2)21(12-7-13-25(22,23)24)19-14-17(10-11-18(19)20)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13H2,1-2H3InChIKey
ORCBEINMFJYAMX-UHFFFAOYSA-NSynonyms
3(1ethyl2methyl5phenyl1H31benzimidazol3ium3yl)propane1sulfonate
3(1ethyl2methyl5phenyl1Hbenzo(d)imidazol3ium3yl)propane1sulfonate
3(3ETHYL2METHYL6PHENYL1H31BENZIMIDAZOL3IUM1YL)PROPANE1SULFONATE
3(3ETHYL2METHYL6PHENYLBENZIMIDAZOL3IUM1YL)PROPANE1SULFONATE
CC(N+)1=C(N(C2=C1C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)(O))C
CCn1c(C)(n+)(c2c1ccc(c2)c1ccccc1)CCCS(=O)(=O)(O)
InChI=1SC19H22N2O3Sc132015(2)21(1271325(2223)24)191417(101118(19)20)168546916h4681114H371213H212H3
MFCD00602809
ZINC000002288457
ZINC02288457
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