Vitas-M small molecule compound
4-(5-chloro-2-methyl-1-phenyl-1H-3,1-benzimidazol-3-ium-3-yl)butane-1-sulfonate
Catalog ID
STK371938
SMILES Clc1ccc2c(c1)[n+](CCCCS(=O)(=O)[O-])c(n2c1ccccc1)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 C18H19ClN2O3S MW 378.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19ClN2O3S/c1-14-20(11-5-6-12-25(22,23)24)18-13-15(19)9-10-17(18)21(14)16-7-3-2-4-8-16/h2-4,7-10,13H,5-6,11-12H2,1H3InChIKey
JBVNIGZACVMWSG-UHFFFAOYSA-NSynonyms
4(5chloro2methyl1phenyl1H31benzimidazol3ium3yl)butane1sulfonate
4(5CHLORO2METHYL1PHENYLBENZIMIDAZOL3YL)BUTANESULFONICACID
4(6CHLORO2METHYL3PHENYLBENZIMIDAZOL1IUM1YL)BUTANE1SULFONATE
CC1=(N+)(C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCCCS(=O)(=O)(O)
Clc1ccc2c(c1)(n+)(CCCCS(=O)(=O)(O))c(n2c1ccccc1)C
InChI=1SC18H19ClN2O3Sc11420(11561225(2223)24)181315(19)91017(18)21(14)167324816h2471013H561112H21H3
MFCD00768949
ZINC000001950670
ZINC01950670
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