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dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789355
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2ccc(c3)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 C33H26N2O7S3 MW 658.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O7S3/c1-16-12-13-18-21(14-16)35(22(36)15-34-28(37)19-10-6-8-17-9-7-11-20(23(17)19)29(34)38)33(2,3)27(43)24(18)32-44-25(30(39)41-4)26(45-32)31(40)42-5/h6-14H,15H2,1-5H3
InChIKey
ARAGGQVCINZMOK-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)(C)C
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2ccc(c3)C)C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)S1)C(=O)OC
DIMETHYL2(1((13DIOXO1HBENZO(DE)ISOQUINOLIN2(3H)YL)ACETYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ACETYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC33H26N2O7S3c11612131821(1416)35(22(36)153428(37)19106817971120(23(17)19)29(34)38)33(23)27(43)24(18)324425(30(39)414)26(4532)31(40)425h614H15H215H3
MFCD01137987
ZINC000008425641
ZINC08425641
ZINC8425641

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Available files

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