Vitas-M small molecule compound

4-(2-methyl-1,3-benzothiazol-3-ium-3-yl)butane-2-sulfonate

Catalog ID
STK874227
SMILES CC(S(=O)(=O)[O-])CC[n+]1c(C)sc2c1cccc2

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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(18(14,15)16)7-8-13-10(2)17-12-6-4-3-5-11(12)13/h3-6,9H,7-8H2,1-2H3
InChIKey
IMJOWVNDQJOJND-UHFFFAOYSA-N
Synonyms
63149-03-1
(2R)4(2METHYL13BENZOTHIAZOL3IUM3YL)BUTANE2SULFONATE
(2S)4(2METHYL13BENZOTHIAZOL3IUM3YL)BUTANE2SULFONATE
2METHYL3(3SULFONATOBUTYL)13BENZOTHIAZOL3IUM
2METHYL3(3SULFONATOBUTYL)BENZOTHIAZOLIUM
2METHYL3(3SULPHONATOBUTYL)BENZOTHIAZOLIUM
4(2methyl13benzothiazol3ium3yl)butane2sulfonate
4(2methylbenzo(d)thiazol3ium3yl)butane2sulfonate
63149031
BENZOTHIAZOLIUM2METHYL3(3SULFOBUTYL)HYDROXIDEINNERSALT
BENZOTHIAZOLIUM2METHYL3(3SULFOBUTYL)INNERSALT
CC(S(=O)(=O)(O))CC(n+)1c(C)sc2c1cccc2
CC1=(N+)(C2=CC=CC=C2S1)CCC(C)S(=O)(=O)(O)
InChI=1SC12H15NO3S2c19(18(1415)16)781310(2)1712643511(12)13h369H78H212H3
MFCD00643251
ZINC000001881703
ZINC000001881704

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Available files

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