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dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK508572
SMILES COC(=O)C1=C(S/C(=C/2\c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)/S1)C(=O)OC

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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 C33H26N2O8S3 MW 674.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O8S3/c1-33(2)27(44)24(32-45-25(30(39)42-4)26(46-32)31(40)43-5)20-14-17(41-3)12-13-21(20)35(33)22(36)15-34-28(37)18-10-6-8-16-9-7-11-19(23(16)18)29(34)38/h6-14H,15H2,1-5H3
InChIKey
QJHHJARMWLFRBW-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)S1)C(=O)OC
DIMETHYL2(1((13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ACETYL)6METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)6methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ACETYL)6METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC33H26N2O8S3c133(2)27(44)24(324525(30(39)424)26(4632)31(40)435)201417(413)121321(20)35(33)22(36)153428(37)18106816971119(23(16)18)29(34)38h614H15H215H3
MFCD01137985
ZINC000008425621
ZINC08425621
ZINC8425621

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Available files

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