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

Catalog ID
STK007621
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)C(C)C)(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 C26H31NO6S3 MW 549.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO6S3/c1-8-31-15-11-12-17-16(13-15)18(21(34)26(6,7)27(17)22(28)14(4)5)25-35-19(23(29)32-9-2)20(36-25)24(30)33-10-3/h11-14H,8-10H2,1-7H3
InChIKey
NTKRQEYZDKMARH-UHFFFAOYSA-N
Synonyms
303177-08-4
303177084
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)C(C)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)C(C)C)(C)C
DIETHYL2(6ETHOXY1ISOBUTYRYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6ethoxy1isobutyryl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(6ETHOXY22DIMETHYL1(2METHYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(6ETHOXY22DIMETHYL1(2METHYLPROPANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL2(6ETHOXY22DIMETHYL1(2METHYLPROPANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC26H31NO6S3c18311511121716(1315)18(21(34)26(67)27(17)22(28)14(4)5)253519(23(29)3292)20(3625)24(30)33103h1114H810H217H3
MFCD00658038
STK007621
ZINC000006631055
ZINC06631055
ZINC6631055

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Available files

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