Vitas-M small molecule compound

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

Catalog ID
STK789759
SMILES CCC(C(=O)N1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)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 C23H25NO5S3 MW 491.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25NO5S3/c1-7-12(2)19(25)24-14-11-9-8-10-13(14)15(18(30)23(24,3)4)22-31-16(20(26)28-5)17(32-22)21(27)29-6/h8-12H,7H2,1-6H3
InChIKey
UMHWCORTPWZKGU-UHFFFAOYSA-N
Synonyms
371959-18-1
2(22DIMETHYL1(2METHYLBUTYRYL)3THIOXO23DIHYDRO1HQUINOLIN4YLIDENE)(13)DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
371959181
CCC(C(=O)N1c2ccccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C
CCC(C)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(22DIMETHYL1(2METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(22dimethyl1(2methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC23H25NO5S3c1712(2)19(25)241411981013(14)15(18(30)23(243)4)223116(20(26)285)17(3222)21(27)296h812H7H216H3
MFCD01859367
ZINC000008670261
ZINC000008686860

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Available files

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