Vitas-M small molecule compound
3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Catalog ID
STK396278
SMILES COc1cc2sc([n+](c2cc1C)CCCS(=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 C13H17NO4S2 MW 315.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17NO4S2/c1-9-7-11-13(8-12(9)18-3)19-10(2)14(11)5-4-6-20(15,16)17/h7-8H,4-6H2,1-3H3InChIKey
KUKSDGDMBLTVEW-UHFFFAOYSA-NSynonyms
63815-97-43(6methoxy25dimethyl13benzothiazol3ium3yl)propane1sulfonate
3(6METHOXY25DIMETHYLBENZOTHIAZOL3YL)PROPANESULFONICACID
63815974
6METHOXY25DIMETHYL3(3SULFONATOPROPYL)13BENZOTHIAZOL3IUM
BENZOTHIAZOLIUM6METHOXY25DIMETHYL3(3SULFOPROPYL)HYDROXIDEINNERSALT
BENZOTHIAZOLIUM6METHOXY25DIMETHYL3(3SULFOPROPYL)INNERSALT
CC1=CC2=C(C=C1OC)SC(=(N+)2CCCS(=O)(=O)(O))C
COc1cc2sc((n+)(c2cc1C)CCCS(=O)(=O)(O))C
InChI=1SC13H17NO4S2c1971113(812(9)183)1910(2)14(11)54620(1516)17h78H46H213H3
MFCD00426903
ZINC000003156615
ZINC03156615
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