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

Catalog ID
STK001962
SMILES COC(=O)C1=C(S/C(=C/2\c3ccccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)/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 C28H22N2O7S3 MW 594.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O7S3/c1-28(2)22(38)19(27-39-20(25(34)36-3)21(40-27)26(35)37-4)16-11-7-8-12-17(16)30(28)18(31)13-29-23(32)14-9-5-6-10-15(14)24(29)33/h5-12H,13H2,1-4H3
InChIKey
PDRAORRFALZZMB-UHFFFAOYSA-N
Synonyms

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CN4C(=O)C5=CC=CC=C5C4=O)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)CN2C(=O)c3c(C2=O)cccc3)S1)C(=O)OC
DIMETHYL2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)ACETYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxoisoindolin2yl)acetyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC28H22N2O7S3c128(2)22(38)19(273920(25(34)363)21(4027)26(35)374)1611781217(16)30(28)18(31)132923(32)149561015(14)24(29)33h512H13H214H3
METHYL2(1(2(13DIOXOBENZO(C)AZOLIDIN2YL)ACETYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01051526
STK001962
ZINC000008395890
ZINC08395890
ZINC8395890

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Available files

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