Vitas-M small molecule compound

2-[(1Z)-2-ethoxyprop-1-en-1-yl]-1-ethylnaphtho[1,2-d][1,3]thiazol-1-ium

Catalog ID
STK380662
SMILES CCO/C(=C\c1sc2c([n+]1CC)c1ccccc1cc2)/C

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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 C18H20NOS MW 298.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20NOS/c1-4-19-17(12-13(3)20-5-2)21-16-11-10-14-8-6-7-9-15(14)18(16)19/h6-12H,4-5H2,1-3H3/q+1/b13-12-
InChIKey
HNGPMBFPHSARCW-SEYXRHQNSA-N
Synonyms

2((1Z)2ethoxyprop1en1yl)1ethylnaphtho(12d)(13)thiazol1ium
2((Z)2ETHOXYPROP1ENYL)1ETHYLBENZO(E)(13)BENZOTHIAZOL1IUM
CC(N+)1=C(SC2=C1C3=CC=CC=C3C=C2)C=C(C)OCC
CCOC(=Cc1sc2c((n+)1CC)c1ccccc1cc2)C
InChI=1SC18H20NOSc141917(1213(3)2052)2116111014867915(14)18(16)19h612H45H213H3q+1b1312
MFCD02105287
ZINC000004514907
ZINC04514907
ZINC4514907

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Available files

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