Vitas-M small molecule compound

3-(5,6-dichloro-1-ethyl-2-methyl-1H-benzimidazol-3-ium-3-yl)-2-hydroxypropane-1-sulfonate

Catalog ID
STK041076
SMILES CCn1c(C)[n+](c2c1cc(Cl)c(c2)Cl)CC(CS(=O)(=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 C13H16Cl2N2O4S MW 367.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16Cl2N2O4S/c1-3-16-8(2)17(6-9(18)7-22(19,20)21)13-5-11(15)10(14)4-12(13)16/h4-5,9,18H,3,6-7H2,1-2H3
InChIKey
HGFJFEDAAWUNIG-UHFFFAOYSA-N
Synonyms

3(56DICHLORO1ETHYL2METHYL1HBENZIMIDAZOL3IUM3YL)2HYDROXYPROPANE1SULFONATE
3(56DICHLORO3ETHYL2METHYLBENZIMIDAZOL1IUM1YL)2HYDROXYPROPANE1SULFONATE
CCN1C(=(N+)(C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)(O))O)C
CCn1c(C)(n+)(c2c1cc(Cl)c(c2)Cl)CC(CS(=O)(=O)(O))O
InChI=1SC13H16Cl2N2O4Sc13168(2)17(69(18)722(1920)21)13511(15)10(14)412(13)16h45918H367H212H3
MFCD00570713
STK041076
ZINC000003186882
ZINC000003186883

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Available files

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