Vitas-M small molecule compound

3-ethyl-2-methyl-6-nitro-1,3-benzothiazol-3-ium

Catalog ID
STK874229
SMILES CC[n+]1c(C)sc2c1ccc(c2)[N+](=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 C10H11N2O2S MW 223.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H11N2O2S/c1-3-11-7(2)15-10-6-8(12(13)14)4-5-9(10)11/h4-6H,3H2,1-2H3/q+1
InChIKey
SEAUVNCROKFVSE-UHFFFAOYSA-N
Synonyms

3ethyl2methyl6nitro13benzothiazol3ium
3ethyl2methyl6nitrobenzo(d)thiazol3iumchloride
3ETHYL2METHYL6NITROBENZOTHIAZOL3IUM
CC(N+)1=C(SC2=C1C=CC(=C2)(N+)(=O)(O))C
CC(n+)1c(C)sc2c1ccc(c2)(N+)(=O)(O)
CC(n+)1c(C)sc2c1ccc(c2)(N+)(=O)(O)(Cl)
InChI=1SC10H11N2O2Sc13117(2)151068(12(13)14)459(10)11h46H3H212H3q+1
ZINC000000369941
ZINC00369941
ZINC369941

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Available files

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