Vitas-M small molecule compound
dimethyl 2-{1-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetyl]-2,2,8-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789356
SMILES COC(=O)C1=C(S/C(=C\2/c3cccc(c3N(C(C2=S)(C)C)C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)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 C33H26N2O7S3 MW 658.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H26N2O7S3/c1-16-9-6-12-18-23(32-44-25(30(39)41-4)26(45-32)31(40)42-5)27(43)33(2,3)35(24(16)18)21(36)15-34-28(37)19-13-7-10-17-11-8-14-20(22(17)19)29(34)38/h6-14H,15H2,1-5H3InChIKey
GAKMXWVSYLTZTP-UHFFFAOYSA-NSynonyms
CC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O
COC(=O)C1=C(SC(=C2c3cccc(c3N(C(C2=S)(C)C)C(=O)Cn2c(=O)c3cccc4c3c(c2=O)ccc4)C)S1)C(=O)OC
dimethyl2(1((13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
dimethyl2(1(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)acetyl)228trimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ACETYL)228TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC33H26N2O7S3c11696121823(324425(30(39)414)26(4532)31(40)425)27(43)33(23)35(24(16)18)21(36)153428(37)1913710171181420(22(17)19)29(34)38h614H15H215H3
MFCD01137989
ZINC000098048822
ZINC98048822
Check stock
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Check stock on Vitas-MAvailable files
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