Vitas-M small molecule compound

2,3-dimethyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate

Catalog ID
STK874213
SMILES C[n+]1c(C)sc2c1cccc2.Cc1ccc(cc1)S(=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 C16H17NO3S2 MW 335.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10NS.C7H8O3S/c1-7-10(2)8-5-3-4-6-9(8)11-7;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
GYHJFWZSCIYJKD-UHFFFAOYSA-M
Synonyms
2654-52-6
23dimethyl13benzothiazol3ium4methylbenzenesulfonate
23DIMETHYL13BENZOTHIAZOL3IUMTOSYLATE
23DIMETHYLBENZO(D)THIAZOL3IUM4METHYLBENZENESULFONATE
23DIMETHYLBENZOTHIAZOLIUMPTOLUENESULFONATE
23DIMETHYLBENZOTHIAZOLIUMPTOLUENESULPHONATE
2654526
BENZOTHIAZOLIUM23DIMETHYL4METHYLBENZENESULFONATE(11)
BENZOTHIAZOLIUM23DIMETHYLSALTWITH4METHYLBENZENESULFONICACID(11)
C(n+)1c(C)sc2c1cccc2Cc1ccc(cc1)S(=O)(=O)(O)
CC1=CC=C(C=C1)S(=O)(=O)(O)CC1=(N+)(C2=CC=CC=C2S1)C
InChI=1SC9H10NSC7H8O3Sc1710(2)853469(8)11716247(536)11(89)10h36H12H325H1H3(H8910)q+1p1
MFCD00227130
N2DIMETHYLBENZOTHIAZOLIUMTOSYLATE
ZINC000000101129

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Available files

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