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

Catalog ID
STK092573
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)/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 C28H27NO5S3 MW 553.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5S3/c1-6-33-25(31)21-22(26(32)34-7-2)37-27(36-21)20-18-15-16(3)13-14-19(18)29(28(4,5)23(20)35)24(30)17-11-9-8-10-12-17/h8-15H,6-7H2,1-5H3
InChIKey
RKFMIBBTJLACGA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)c2ccccc2)S1)C(=O)OCC
DIETHYL2(1BENZOYL226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1BENZOYL226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1benzoyl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(226TRIMETHYL1(PHENYLCARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)2(226TRIMETHYL1(PHENYLCARBONYL)3THIOXO(412DIHYDROQUINOLYLIDENE))13DITHIOLENE4CARBOXYLATE
InChI=1SC28H27NO5S3c163325(31)2122(26(32)3472)3727(3621)20181516(3)131419(18)29(28(45)23(20)35)24(30)171198101217h815H67H215H3
MFCD01796172
STK092573
ZINC000008431808
ZINC08431808
ZINC8431808

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Available files

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