Vitas-M small molecule compound

3-(5,6-dimethoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Catalog ID
STK366360
SMILES COc1cc2c(cc1OC)sc([n+]2CCCS(=O)(=O)[O-])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 C13H17NO5S2 MW 331.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO5S2/c1-9-14(5-4-6-21(15,16)17)10-7-11(18-2)12(19-3)8-13(10)20-9/h7-8H,4-6H2,1-3H3
InChIKey
FZYBQTUSQBICMA-UHFFFAOYSA-N
Synonyms
63148-95-8
3(56dimethoxy2methyl13benzothiazol3ium3yl)propane1sulfonate
3(56DIMETHOXY2METHYLBENZOTHIAZOL3YL)PROPANESULFONICACID
56DIMETHOXY2METHYL3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM
63148958
BENZOTHIAZOLIUM56DIMETHOXY2METHYL3(3SULFOPROPYL)INNERSALT
CC1=(N+)(C2=CC(=C(C=C2S1)OC)OC)CCCS(=O)(=O)(O)
COc1cc2c(cc1OC)sc((n+)2CCCS(=O)(=O)(O))C
InChI=1SC13H17NO5S2c1914(54621(1516)17)10711(182)12(193)813(10)209h78H46H213H3
MFCD00416800
ZINC000004015124
ZINC04015124

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Available files

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