Vitas-M small molecule compound

dimethyl 2-[2,2,6,8-tetramethyl-3-thioxo-1-(trifluoroacetyl)-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK508678
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)cc(c3N(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 C22H20F3NO5S3 MW 531.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3NO5S3/c1-9-7-10(2)13-11(8-9)12(16(32)21(3,4)26(13)20(29)22(23,24)25)19-33-14(17(27)30-5)15(34-19)18(28)31-6/h7-8H,1-6H3
InChIKey
IVMVXYHLTMLOPP-UHFFFAOYSA-N
Synonyms
351224-75-4
351224754
CC1=CC(=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(F)(F)F)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)cc(c3N(C(C2=S)(C)C)C(=O)C(F)(F)F)C)S1)C(=O)OC
dimethyl2(2268tetramethyl3sulfanylidene1(222trifluoroacetyl)quinolin4ylidene)13dithiole45dicarboxylate
dimethyl2(2268tetramethyl3thioxo1(222trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2268tetramethyl3thioxo1(trifluoroacetyl)23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC22H20F3NO5S3c19710(2)1311(89)12(16(32)21(34)26(13)20(29)22(2324)25)193314(17(27)305)15(3419)18(28)316h78H16H3
MFCD01796151
ZINC000008431794
ZINC08431794
ZINC8431794

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Available files

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