Vitas-M small molecule compound

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

Catalog ID
STK089158
SMILES COC(=O)C1=C(S/C(=C\2/C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)c2ccccc2)/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 C26H23NO5S3 MW 525.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23NO5S3/c1-14-11-12-17-16(13-14)18(25-34-19(23(29)31-4)20(35-25)24(30)32-5)21(33)26(2,3)27(17)22(28)15-9-7-6-8-10-15/h6-13H,1-5H3
InChIKey
OXYRIIRRDFNROV-UHFFFAOYSA-N
Synonyms
336175-57-6
336175576
CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=CC=C4
COC(=O)C1=C(SC(=C2C(=S)C(C)(C)N(c3c2cc(C)cc3)C(=O)c2ccccc2)S1)C(=O)OC
DIMETHYL2(1BENZOYL226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1BENZOYL226TRIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1benzoyl226trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(226TRIMETHYL1(PHENYLCARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC26H23NO5S3c11411121716(1314)18(253419(23(29)314)20(3525)24(30)325)21(33)26(23)27(17)22(28)1597681015h613H15H3
MFCD01559813
STK089158
ZINC000008443752
ZINC08443752
ZINC8443752

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.