Vitas-M small molecule compound
diethyl 2-[2,2-dimethyl-1-(naphthalen-2-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK080004
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)/S1)C(=O)OCC
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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 C31H27NO5S3 MW 589.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO5S3/c1-5-36-28(34)24-25(29(35)37-6-2)40-30(39-24)23-21-13-9-10-14-22(21)32(31(3,4)26(23)38)27(33)20-16-15-18-11-7-8-12-19(18)17-20/h7-17H,5-6H2,1-4H3InChIKey
GCBOQWKLXBHQQQ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C4=CC5=CC=CC=C5C=C4)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)c2ccc3c(c2)cccc3)S1)C(=O)OCC
diethyl2(1(2naphthoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(22DIMETHYL1(NAPHTHALEN2YLCARBONYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(22DIMETHYL1(NAPHTHALENE2CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC31H27NO5S3c153628(34)2425(29(35)3762)4030(3924)2321139101422(21)32(31(34)26(23)38)27(33)2016151811781219(18)1720h717H56H214H3
MFCD00643410
STK080004
ZINC000097994469
ZINC97994469
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.