Vitas-M small molecule compound

3-(2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate

Catalog ID
STK396351
SMILES Cc1sc2c([n+]1CCCS(=O)(=O)[O-])cc(cc2)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 C12H15NO3S2 MW 285.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H15NO3S2/c1-9-4-5-12-11(8-9)13(10(2)17-12)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3
InChIKey
RHVVCHULMIKELS-UHFFFAOYSA-N
Synonyms
65287-01-6
25DIMETHYL3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM
25DIMETHYL3(3SULFOPROPYL)BENZOTHIAZOLIUMBETAINE
25DIMETHYL3(3SULPHONATOPROPYL)BENZOTHIAZOLIUM
3(25dimethyl13benzothiazol3ium3yl)propane1sulfonate
3(25DIMETHYLBENZOTHIAZOL3YL)PROPANESULFONICACID
65287016
ANHYDRO25DIMETHYL3(3SULFOPROPYL)BENZOTHIAZOLIUMHYDROXIDE
ANHYDRO25DIMETHYL3(GAMMASULFOPROPYL)BENZOTHIAZOLIUMHYDROXIDE
BENZOTHIAZOLIUM25DIMETHYL3(3SULFOPROPYL)HYDROXIDEINNERSALT
BENZOTHIAZOLIUM25DIMETHYL3(3SULFOPROPYL)INNERSALT
CC1=CC2=C(C=C1)SC(=(N+)2CCCS(=O)(=O)(O))C
Cc1sc2c((n+)1CCCS(=O)(=O)(O))cc(cc2)C
InChI=1SC12H15NO3S2c19451211(89)13(10(2)1712)63718(1415)16h458H367H212H3
MFCD00182866
ZINC000003121917
ZINC03121917

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Available files

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