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

Catalog ID
STK508538
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)C)/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 C29H24N2O7S3 MW 608.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N2O7S3/c1-14-9-8-12-17-19(28-40-21(26(35)37-4)22(41-28)27(36)38-5)23(39)29(2,3)31(20(14)17)18(32)13-30-24(33)15-10-6-7-11-16(15)25(30)34/h6-12H,13H2,1-5H3
InChIKey
MLFTWCYECCVMDR-UHFFFAOYSA-N
Synonyms
331840-85-8
331840858
CC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CN4C(=O)C5=CC=CC=C5C4=O
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)C)S1)C(=O)OC
DIMETHYL2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)228TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1((13dioxo13dihydro2Hisoindol2yl)acetyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)ACETYL)228TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC29H24N2O7S3c11498121719(284021(26(35)374)22(4128)27(36)385)23(39)29(23)31(20(14)17)18(32)133024(33)1510671116(15)25(30)34h612H13H215H3
MFCD01051532
ZINC000008456459
ZINC08456459
ZINC8456459

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Available files

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