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diethyl 2-{1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-6-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK065552
SMILES CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)CN1C(=O)c2c(C1=O)cccc2)(C)C

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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 C32H30N2O8S3 MW 666.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30N2O8S3/c1-6-40-17-13-14-21-20(15-17)23(31-44-24(29(38)41-7-2)25(45-31)30(39)42-8-3)26(43)32(4,5)34(21)22(35)16-33-27(36)18-11-9-10-12-19(18)28(33)37/h9-15H,6-8,16H2,1-5H3
InChIKey
HSVBVVYGSQUAQP-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)CN4C(=O)C5=CC=CC=C5C4=O
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)CN1C(=O)c2c(C1=O)cccc2)(C)C
DIETHYL2(1((13DIOXO13DIHYDRO2HISOINDOL2YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1(2(13DIOXOISOINDOL2YL)ACETYL)6ETHOXY22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1(2(13dioxoisoindolin2yl)acetyl)6ethoxy22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL2(1(2(13DIOXOBENZO(C)AZOLIN2YL)ACETYL)6ETHOXY22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC32H30N2O8S3c16401713142120(1517)23(314424(29(38)4172)25(4531)30(39)4283)26(43)32(45)34(21)22(35)163327(36)18119101219(18)28(33)37h915H6816H215H3
MFCD01960604
STK065552
ZINC000150440793
ZINC150440793

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Available files

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