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dimethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-8-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK075105
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)OC)/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 C29H24N2O8S3 MW 624.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O8S3/c1-29(2)23(40)19(28-41-21(26(35)38-4)22(42-28)27(36)39-5)16-11-8-12-17(37-3)20(16)31(29)18(32)13-30-24(33)14-9-6-7-10-15(14)25(30)34/h6-12H,13H2,1-5H3
InChIKey
LPTWLPJLBHUZDW-UHFFFAOYSA-N
Synonyms
305383-71-5
305383715
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CN4C(=O)C5=CC=CC=C5C4=O)C(=CC=C3)OC)C
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)OC)S1)C(=O)OC
DIMETHYL2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)8METHOXY22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)8METHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)ACETYL)8METHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxoisoindolin2yl)acetyl)8methoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H24N2O8S3c129(2)23(40)19(284121(26(35)384)22(4228)27(36)395)161181217(373)20(16)31(29)18(32)133024(33)149671015(14)25(30)34h612H13H215H3
MFCD01051533
STK075105
ZINC000008395894
ZINC08395894
ZINC8395894

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Available files

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