Vitas-M small molecule compound
dimethyl 2-[2,2,6,7-tetramethyl-1-(naphthalen-1-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK080574
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)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 C31H27NO5S3 MW 589.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO5S3/c1-16-14-21-22(15-17(16)2)32(27(33)20-13-9-11-18-10-7-8-12-19(18)20)31(3,4)26(38)23(21)30-39-24(28(34)36-5)25(40-30)29(35)37-6/h7-15H,1-6H3InChIKey
RFHQWDSMZDOIEZ-UHFFFAOYSA-NSynonyms
CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC5=CC=CC=C54)(C)C)C
COC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)c2cccc3c2cccc3)C)S1)C(=O)OC
dimethyl2(1(1naphthoyl)2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(naphthalen1ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(2267tetramethyl1(naphthalene1carbonyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
InChI=1SC31H27NO5S3c116142122(1517(16)2)32(27(33)20139111810781219(18)20)31(34)26(38)23(21)303924(28(34)365)25(4030)29(35)376h715H16H3
MFCD01363332
STK080574
ZINC000008426487
ZINC08426487
ZINC8426487
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.