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3-(2-hydroxyethyl)-2-{(1E,3Z)-3-[3-(2-hydroxyethyl)-1,3-benzothiazol-2(3H)-ylidene]-2-methylprop-1-en-1-yl}-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate

Catalog ID
STK792957
SMILES Cc1ccc(cc1)S(=O)(=O)[O-].OCCn1/c(=C/C(=C/c2sc3c([n+]2CCO)cccc3)/C)/sc2c1cccc2

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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 C29H30N2O5S3 MW 582.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N2O2S2.C7H8O3S/c1-16(14-21-23(10-12-25)17-6-2-4-8-19(17)27-21)15-22-24(11-13-26)18-7-3-5-9-20(18)28-22;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,14-15,25-26H,10-13H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
GHNWVXDGYCLCKE-UHFFFAOYSA-M
Synonyms

2((2Z)2((E)3(3(2HYDROXYETHYL)13BENZOTHIAZOL3IUM2YL)2METHYLPROP2ENYLIDENE)13BENZOTHIAZOL3YL)ETHANOL4METHYLBENZENESULFONATE
3(2hydroxyethyl)2((1E3E)3(3(2hydroxyethyl)benzo(d)thiazol2(3H)ylidene)2methylprop1en1yl)benzo(d)thiazol3ium4methylbenzenesulfonate
3(2hydroxyethyl)2((1E3Z)3(3(2hydroxyethyl)13benzothiazol2(3H)ylidene)2methylprop1en1yl)13benzothiazol3ium4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)(O)CC(=CC1=(N+)(C2=CC=CC=C2S1)CCO)C=C3N(C4=CC=CC=C4S3)CCO
Cc1ccc(cc1)S(=O)(=O)(O)OCCn1c(=CC(=Cc2sc3c((n+)2CCO)cccc3)C)sc2c1cccc2
InChI=1SC22H23N2O2S2C7H8O3Sc116(142123(101225)17624819(17)2721)152224(111326)18735920(18)282216247(536)11(89)10h2914152526H1013H21H325H1H3(H8910)q+1p1
MFCD00317170
ZINC000004531736

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Available files

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