Vitas-M small molecule compound

3-ethyl-2-[(E)-(1-ethylquinolin-2(1H)-ylidene)methyl]-5-hydroxy-1,3-benzothiazol-3-ium

Catalog ID
STK367799
SMILES CC[n+]1c(/C=c/2\ccc3c(n2CC)cccc3)sc2c1cc(O)cc2

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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 C21H21N2OS MW 349.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2OS/c1-3-22-16(10-9-15-7-5-6-8-18(15)22)13-21-23(4-2)19-14-17(24)11-12-20(19)25-21/h5-14H,3-4H2,1-2H3/p+1
InChIKey
FCSVXKZFDYAYGQ-UHFFFAOYSA-O
Synonyms
4512-79-2
(2Z)3ETHYL2((1ETHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOL5OL
3ETHYL2((1ETHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOL5OL
3ethyl2((E)(1ethylquinolin2(1H)ylidene)methyl)5hydroxy13benzothiazol3ium
3ETHYL2(1ETHYL1HQUINOLIN2YLIDENEMETHYL)5HYDROXYBENZOTHIAZOL3IUM
4512792
CC(n+)1c(C=c2ccc3c(n2CC)cccc3)sc2c1cc(O)cc2
CCN1C2=C(C=CC(=C2)O)SC1=CC3=(N+)(C4=CC=CC=C4C=C3)CC
InChI=1SC21H20N2OSc132216(10915756818(15)22)132123(42)191417(24)111220(19)2521h514H34H212H3p+1
ZINC000334157890
ZINC000334157891
ZINC03144277
ZINC3144277

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Available files

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