Vitas-M small molecule compound

3-ethyl-2-methyl-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate

Catalog ID
STL163884
SMILES Cc1ccc(cc1)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 C17H19NO3S2 MW 349.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H12NS.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
NJSVJXQJFLLFCG-UHFFFAOYSA-M
Synonyms
14933-76-7
14933767
2METHYL3ETHYLBENZOTHIAZOLIUMPTOLUENESULFONATE
3ETHYL2METHYL13BENZOTHIAZOL3IUM4METHYLBENZENE1SULFONATE
3ethyl2methyl13benzothiazol3ium4methylbenzenesulfonate
3ETHYL2METHYL13BENZOTHIAZOL3IUMTOSYLATE
3ETHYL2METHYLBENZO(D)THIAZOL3IUM4METHYLBENZENESULFONATE
3ETHYL2METHYLBENZOTHIAZOLE4METHYLBENZENESULFONICACID
3ETHYL2METHYLBENZOTHIAZOLIUMPTOLUENESULFONATE
3ETHYL2METHYLBENZOTHIAZOLIUMPTOLUENESULFONATE98
3ETHYL2METHYLBENZOTHIAZOLIUMPTOLUENESULPHONATE
3ETHYL2METHYLBENZOTHIAZOLIUMTOSYLATE
BENZOTHIAZOLIUM3ETHYL2METHYL4METHYLBENZENESULFONATE(11)
BENZOTHIAZOLIUM3ETHYL2METHYLSALTWITH4METHYLBENZENESULFONICACID(11)
CC(N+)1=C(SC2=CC=CC=C21)CCC1=CC=C(C=C1)S(=O)(=O)(O)
Cc1ccc(cc1)S(=O)(=O)(O)CC(n+)1c(C)sc2c1cccc2
InChI=1SC10H12NSC7H8O3Sc13118(2)121075469(10)1116247(536)11(89)10h47H3H212H325H1H3(H8910)q+1p1
MFCD00143140
ZINC000000087588

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Available files

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