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diethyl 2-{6-methoxy-2,2-dimethyl-1-[(3-methylphenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789050
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)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 C29H29NO6S3 MW 583.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO6S3/c1-7-35-26(32)22-23(27(33)36-8-2)39-28(38-22)21-19-15-18(34-6)12-13-20(19)30(29(4,5)24(21)37)25(31)17-11-9-10-16(3)14-17/h9-15H,7-8H2,1-6H3
InChIKey
YUICIEKHANDLSC-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccc(c2)C)S1)C(=O)OCC
diethyl2(6methoxy22dimethyl1((3methylphenyl)carbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(6METHOXY22DIMETHYL1(3METHYLBENZOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6METHOXY22DIMETHYL1(3METHYLBENZOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6methoxy22dimethyl1(3methylbenzoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC29H29NO6S3c173526(32)2223(27(33)3682)3928(3822)21191518(346)121320(19)30(29(45)24(21)37)25(31)171191016(3)1417h915H78H216H3
MFCD00643478
ZINC000008435540
ZINC08435540
ZINC8435540

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Available files

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