Vitas-M small molecule compound
dimethyl 2-{2,2,8-trimethyl-1-[(naphthalen-1-yloxy)acetyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789008
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)COc2cccc3c2cccc3)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 C31H27NO6S3 MW 605.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO6S3/c1-17-10-8-14-20-23(30-40-25(28(34)36-4)26(41-30)29(35)37-5)27(39)31(2,3)32(24(17)20)22(33)16-38-21-15-9-12-18-11-6-7-13-19(18)21/h6-15H,16H2,1-5H3InChIKey
JWUHGOKSKVNCHA-UHFFFAOYSA-NSynonyms
CC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)COC4=CC=CC5=CC=CC=C54
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)COc2cccc3c2cccc3)C)S1)C(=O)OC
dimethyl2(228trimethyl1((naphthalen1yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(228trimethyl1(2(naphthalen1yloxy)acetyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(228TRIMETHYL1(2NAPHTHALEN1YLOXYACETYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC31H27NO6S3c117108142023(304025(28(34)364)26(4130)29(35)375)27(39)31(23)32(24(17)20)22(33)163821159121811671319(18)21h615H16H215H3
MFCD00643396
ZINC000008435529
ZINC08435529
ZINC8435529
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.