Vitas-M small molecule compound

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

Catalog ID
STK789127
SMILES CCCC(C(=O)N1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)CCC

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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 C26H31NO5S3 MW 533.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5S3/c1-7-11-15(12-8-2)22(28)27-17-14-10-9-13-16(17)18(21(33)26(27,3)4)25-34-19(23(29)31-5)20(35-25)24(30)32-6/h9-10,13-15H,7-8,11-12H2,1-6H3
InChIKey
YYPVQCWFUMELBO-UHFFFAOYSA-N
Synonyms
522659-31-0
522659310
CCCC(C(=O)N1c2ccccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)CCC
CCCC(CCC)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(22DIMETHYL1(2PROPYLPENTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(22dimethyl1(2propylpentanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H31NO5S3c171115(1282)22(28)2717141091316(17)18(21(33)26(273)4)253419(23(29)315)20(3525)24(30)326h9101315H781112H216H3
MFCD03488085
ZINC000097951771
ZINC97951771

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Available files

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