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

Catalog ID
STK062044
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)Cc1ccccc1)(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 C30H31NO6S3 MW 597.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO6S3/c1-6-35-19-14-15-21-20(17-19)23(29-39-24(27(33)36-7-2)25(40-29)28(34)37-8-3)26(38)30(4,5)31(21)22(32)16-18-12-10-9-11-13-18/h9-15,17H,6-8,16H2,1-5H3
InChIKey
HFMRYDWDGHFBEU-UHFFFAOYSA-N
Synonyms

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)(C)C)C(=O)CC4=CC=CC=C4
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)Cc1ccccc1)(C)C
DIETHYL2(6ETHOXY22DIMETHYL1(2PHENYLACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6ethoxy22dimethyl1(2phenylacetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(6ETHOXY22DIMETHYL1(PHENYLACETYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL2(6ETHOXY22DIMETHYL1(2PHENYLACETYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC30H31NO6S3c16351914152120(1719)23(293924(27(33)3672)25(4029)28(34)3783)26(38)30(45)31(21)22(32)161812109111318h91517H6816H215H3
MFCD01156155
STK062044
ZINC000006631057
ZINC6631057

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Available files

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