Vitas-M small molecule compound
dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK508679
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)CC(C)C)(C)C
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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 C25H29NO6S3 MW 535.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6S3/c1-8-32-14-9-10-16-15(12-14)18(21(33)25(4,5)26(16)17(27)11-13(2)3)24-34-19(22(28)30-6)20(35-24)23(29)31-7/h9-10,12-13H,8,11H2,1-7H3InChIKey
JRHRDFJUOSLUFF-UHFFFAOYSA-NSynonyms
351224-82-3351224823
CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CC(C)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)CC(C)C)(C)C
DIMETHYL2(6ETHOXY22DIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy22dimethyl1(3methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H29NO6S3c1832149101615(1214)18(21(33)25(45)26(16)17(27)1113(2)3)243419(22(28)306)20(3524)23(29)317h9101213H811H217H3
MFCD01796163
ZINC000097949678
ZINC97949678
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