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

Catalog ID
STK093273
SMILES COC(=O)C1=C(S/C(=C/2\c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)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 C36H30N2O7S3 MW 698.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H30N2O7S3/c1-19-15-16-23-24(17-19)38(36(2,3)29(46)26(23)35-47-27(33(42)44-4)28(48-35)34(43)45-5)32(41)25(18-20-11-7-6-8-12-20)37-30(39)21-13-9-10-14-22(21)31(37)40/h6-17,25H,18H2,1-5H3
InChIKey
ITHYIPXYFNFAEJ-UHFFFAOYSA-N
Synonyms

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(CC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(N2C(=O)c3c(C2=O)cccc3)Cc2ccccc2)C)S1)C(=O)OC
DIMETHYL2(1(2(13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOYL)227TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXO13DIHYDRO2HISOINDOL2YL)3PHENYLPROPANOYL)227TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2(13DIOXOISOINDOL2YL)3PHENYLPROPANOYL)227TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(2(13dioxoisoindolin2yl)3phenylpropanoyl)227trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC36H30N2O7S3c11915162324(1719)38(36(23)29(46)26(23)354727(33(42)444)28(4835)34(43)455)32(41)25(1820117681220)3730(39)21139101422(21)31(37)40h61725H18H215H3
METHYL2(1(2(13DIOXOBENZO(C)AZOLIN2YL)3PHENYLPROPANOYL)227TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01171288
STK093273
ZINC000008430508
ZINC000008430510

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Available files

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