Vitas-M small molecule compound
3-ethyl-2-[(E)-(1-ethyl-6-methylquinolin-2(1H)-ylidene)methyl]-5-hydroxy-1,3-benzothiazol-3-ium
Catalog ID
STK367953
SMILES CCn1/c(=C/c2sc3c([n+]2CC)cc(cc3)O)/ccc2c1ccc(c2)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 C22H23N2OS MW 363.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2OS/c1-4-23-17(8-7-16-12-15(3)6-10-19(16)23)13-22-24(5-2)20-14-18(25)9-11-21(20)26-22/h6-14H,4-5H2,1-3H3/p+1InChIKey
GQVLLUTYHQQBNE-UHFFFAOYSA-OSynonyms
(2E)3ETHYL2((1ETHYL6METHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOL5OL
(2Z)3ETHYL2((1ETHYL6METHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOL5OL
3ETHYL2((1ETHYL6METHYLQUINOLIN1IUM2YL)METHYLIDENE)13BENZOTHIAZOL5OL
3ethyl2((E)(1ethyl6methylquinolin2(1H)ylidene)methyl)5hydroxy13benzothiazol3ium
5HYDROXY2((12DIHYDRO1ETHYL6METHYLQUINOLINE)2YLIDENEMETHYL)3ETHYLBENZOTHIAZOLE3IUM
CCn1c(=Cc2sc3c((n+)2CC)cc(cc3)O)ccc2c1ccc(c2)C
CCN1C2=C(C=CC(=C2)O)SC1=CC3=(N+)(C4=C(C=C3)C=C(C=C4)C)CC
InChI=1SC22H22N2OSc142317(87161215(3)61019(16)23)132224(52)201418(25)91121(20)2622h614H45H213H3p+1
MFCD01141743
ZINC000334157893
ZINC000334157894
ZINC02385080
ZINC02512458
ZINC2385080
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