Vitas-M small molecule compound

dimethyl 2-[2,2,7-trimethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK037098
SMILES COC(=O)C1=C(S/C(=C\2/c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)/S1)C(=O)OC

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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 C21H18F3NO5S3 MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3NO5S3/c1-9-6-7-10-11(8-9)25(19(28)21(22,23)24)20(2,3)15(31)12(10)18-32-13(16(26)29-4)14(33-18)17(27)30-5/h6-8H,1-5H3
InChIKey
WTKQJGWOVFZVSU-UHFFFAOYSA-N
Synonyms
331416-93-4
331416934
CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(F)(F)F)(C)C
COC(=O)C1=C(SC(=C2c3ccc(cc3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)S1)C(=O)OC
DIMETHYL2(227TRIMETHYL3SULFANYLIDENE1(222TRIFLUOROACETYL)QUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(227trimethyl3thioxo1(222trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(227TRIMETHYL3THIOXO1(TRIFLUOROACETYL)23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC21H18F3NO5S3c19671011(89)25(19(28)21(2223)24)20(23)15(31)12(10)183213(16(26)294)14(3318)17(27)305h68H15H3
MFCD00689683
STK037098
ZINC000008387374
ZINC08387374
ZINC8387374

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Available files

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