Vitas-M small molecule compound

3-(1,3-benzothiazol-2-yl)-1-ethylpyridinium

Catalog ID
STL444450
SMILES CC[n+]1cccc(c1)c1nc2c(s1)cccc2

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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 C14H13N2S MW 241.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13N2S/c1-2-16-9-5-6-11(10-16)14-15-12-7-3-4-8-13(12)17-14/h3-10H,2H2,1H3/q+1
InChIKey
FYSNYJGPIDUYHL-UHFFFAOYSA-N
Synonyms

2(1ETHYL3PYRIDIN1IUMYL)13BENZOTHIAZOLEIODIDE
2(1ETHYLPYRIDIN1IUM3YL)13BENZOTHIAZOLE
2(1ETHYLPYRIDIN1IUM3YL)13BENZOTHIAZOLEIODIDE
3(13benzothiazol2yl)1ethylpyridinium
3BENZOTHIAZOL2YL1ETHYLPYRIDINIUM
CC(N+)1=CC=CC(=C1)C2=NC3=CC=CC=C3S2
CC(n+)1cccc(c1)c1nc2c(s1)cccc2
InChI=1SC14H13N2Sc121695611(1016)141512734813(12)1714h310H2H21H3q+1
MFCD00681420
ZINC000000237953
ZINC00237953
ZINC237953

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Available files

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