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dimethyl 2-[6-methoxy-2,2-dimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK086271
SMILES COc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)C(F)(F)F)(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 C21H18F3NO6S3 MW 533.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3NO6S3/c1-20(2)15(32)12(18-33-13(16(26)30-4)14(34-18)17(27)31-5)10-8-9(29-3)6-7-11(10)25(20)19(28)21(22,23)24/h6-8H,1-5H3
InChIKey
VNKLDQCSJGTELH-UHFFFAOYSA-N
Synonyms
331416-92-3
331416923
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C(F)(F)F)C=CC(=C3)OC)C
COc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(F)(F)F)(C)C
DIMETHYL2(6METHOXY22DIMETHYL3SULFANYLIDENE1(222TRIFLUOROACETYL)QUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6methoxy22dimethyl3thioxo1(222trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6METHOXY22DIMETHYL3THIOXO1(TRIFLUOROACETYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC21H18F3NO6S3c120(2)15(32)12(183313(16(26)304)14(3418)17(27)315)1089(293)6711(10)25(20)19(28)21(2223)24h68H15H3
METHYL2(6METHOXY22DIMETHYL3THIOXO1(222TRIFLUOROACETYL)(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00689682
STK086271
ZINC000008387360
ZINC08387360
ZINC8387360

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Available files

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