Vitas-M small molecule compound
3-(5-chloro-2-methyl-1-phenyl-1H-3,1-benzimidazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK366334
SMILES Clc1ccc2c(c1)[n+](CCCS(=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 C17H17ClN2O3S MW 364.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClN2O3S/c1-13-19(10-5-11-24(21,22)23)17-12-14(18)8-9-16(17)20(13)15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11H2,1H3InChIKey
WIWRHNDQXSRRCA-UHFFFAOYSA-NSynonyms
3(5chloro2methyl1phenyl1H31benzimidazol3ium3yl)propane1sulfonate
3(5CHLORO2METHYL1PHENYLBENZIMIDAZOL3YL)PROPANESULFONICACID
3(6CHLORO2METHYL3PHENYLBENZIMIDAZOL1IUM1YL)PROPANE1SULFONATE
CC1=(N+)(C2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl)CCCS(=O)(=O)(O)
Clc1ccc2c(c1)(n+)(CCCS(=O)(=O)(O))c(n2c1ccccc1)C
InChI=1SC17H17ClN2O3Sc11319(1051124(2122)23)171214(18)8916(17)20(13)156324715h246912H51011H21H3
MFCD00387478
ZINC000001954750
ZINC01954750
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