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

Catalog ID
STK008753
SMILES COC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(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 C29H30N2O7S3 MW 614.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7S3/c1-14-10-11-17-18(12-14)31(19(32)13-30-24(33)15-8-6-7-9-16(15)25(30)34)29(2,3)23(39)20(17)28-40-21(26(35)37-4)22(41-28)27(36)38-5/h10-12,15-16H,6-9,13H2,1-5H3
InChIKey
XQIRMUWTPKIZME-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)C5CCCCC5C4=O)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)CN2C(=O)C3C(C2=O)CCCC3)C)S1)C(=O)OC
DIMETHYL2(1((13DIOXOOCTAHYDRO2HISOINDOL2YL)ACETYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((13DIOXOOCTAHYDRO2HISOINDOL2YL)ACETYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxo3a45677ahexahydroisoindol2yl)acetyl)227trimethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxohexahydro1Hisoindol2(3H)yl)acetyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H30N2O7S3c11410111718(1214)31(19(32)133024(33)15867916(15)25(30)34)29(23)23(39)20(17)284021(26(35)374)22(4128)27(36)385h10121516H6913H215H3
MFCD01363276
STK008753
ZINC000008426470
ZINC000100112461

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Available files

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