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3-ethyl-2-[(E)-(3-{(Z)-[3-ethyl-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}-5,5-dimethylcyclohex-2-en-1-ylidene)methyl]-5-methoxy-6-(methylsulfanyl)-1,3-benzothiazol-3-ium 4-methylbenzenesulfonate

Catalog ID
STK325945
SMILES Cc1ccc(cc1)S(=O)(=O)[O-].COc1cc2c(cc1SC)s/c(=C\C1=C/C(=C/c3sc4c([n+]3CC)cc(c(c4)SC)OC)/CC(C1)(C)C)/n2CC

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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 C39H46N2O5S5 MW 783.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N2O2S4.C7H8O3S/c1-9-33-22-14-24(35-5)28(37-7)16-26(22)39-30(33)12-20-11-21(19-32(3,4)18-20)13-31-34(10-2)23-15-25(36-6)29(38-8)17-27(23)40-31;1-6-2-4-7(5-3-6)11(8,9)10/h11-17H,9-10,18-19H2,1-8H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey
PAUPTNMJRKCXIT-UHFFFAOYSA-M
Synonyms

(2Z)3ethyl2(((3Z)3((3ethyl5methoxy6methylsulfanyl13benzothiazol3ium2yl)methylidene)55dimethylcyclohexen1yl)methylidene)5methoxy6methylsulfanyl13benzothiazole4methylbenzenesulfonate
3ETHYL2((E)(3((Z)(3ETHYL5METHOXY6(METHYLSULFANYL)13BENZOTHIAZOL2(3H)YLIDENE)METHYL)55DIMETHYLCYCLOHEX2EN1YLIDENE)METHYL)5METHOXY6(METHYLSULFANYL)13BENZOTHIAZOL3IUM4ME
3ethyl2((E)(3((Z)(3ethyl5methoxy6(methylthio)benzo(d)thiazol2(3H)ylidene)methyl)55dimethylcyclohex2en1ylidene)methyl)5methoxy6(methylthio)benzo(d)thiazol3ium4methylbenzenesulfonate
Cc1ccc(cc1)S(=O)(=O)(O)COc1cc2c(cc1SC)sc(=CC1=CC(=Cc3sc4c((n+)3CC)cc(c(c4)SC)OC)CC(C1)(C)C)n2CC
CCN1C2=CC(=C(C=C2SC1=CC3=CC(=CC4=(N+)(C5=CC(=C(C=C5S4)SC)OC)CC)CC(C3)(C)C)SC)OCCC1=CC=C(C=C1)S(=O)(=O)(O)
InChI=1SC32H39N2O2S4C7H8O3Sc1933221424(355)28(377)1626(22)3930(33)12201121(1932(34)1820)133134(102)231525(366)29(388)1727(23)403116247(536)11(89)10h1117H9101819H218H325H1H3(H8910)q+1p1
MFCD00625780
THYLBENZENESULFONATE

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Available files

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