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diethyl 2-[2,2,6-trimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789392
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(C)C)/S1)C(=O)OCC

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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 C25H29NO5S3 MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S3/c1-8-30-22(28)18-19(23(29)31-9-2)34-24(33-18)17-15-12-14(5)10-11-16(15)26(21(27)13(3)4)25(6,7)20(17)32/h10-13H,8-9H2,1-7H3
InChIKey
XRGOPHBVLZZMGO-UHFFFAOYSA-N
Synonyms
331640-24-5
331640245
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C(C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)C(C)C)S1)C(=O)OCC
DIETHYL2(1ISOBUTYRYL226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1isobutyryl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(226TRIMETHYL1(2METHYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(226trimethyl1(2methylpropanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
ETHYL5(ETHOXYCARBONYL)2(226TRIMETHYL1(2METHYLPROPANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC25H29NO5S3c183022(28)1819(23(29)3192)3424(3318)17151214(5)101116(15)26(21(27)13(3)4)25(67)20(17)32h1013H89H217H3
MFCD01156143
ZINC000006545812
ZINC06545812
ZINC6545812

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Available files

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