Vitas-M small molecule compound

3-[2-(acetyloxy)ethyl]-2-methyl-1,3-benzothiazol-3-ium

Catalog ID
STK120389
SMILES CC(=O)OCC[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 C12H14NO2S MW 236.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14NO2S/c1-9-13(7-8-15-10(2)14)11-5-3-4-6-12(11)16-9/h3-6H,7-8H2,1-2H3/q+1
InChIKey
OOKAFXRHCBVBPZ-UHFFFAOYSA-N
Synonyms

2(2METHYL13BENZOTHIAZOL3IUM3YL)ETHYLACETATE
3(2(ACETYLOXY)ETHYL)2METHYL13BENZOTHIAZOL3IUM
CC(=O)OCC(n+)1c(C)sc2c1cccc2
CC1=(N+)(C2=CC=CC=C2S1)CCOC(=O)C
InChI=1SC12H14NO2Sc1913(781510(2)14)11534612(11)169h36H78H212H3q+1
MFCD09267440
ZINC000004691581
ZINC04691581
ZINC4691581

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.