Vitas-M small molecule compound
dimethyl 2-[6-methoxy-2,2-dimethyl-1-(pyridin-3-ylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789782
SMILES COC(=O)C1=C(S/C(=C\2/c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccnc2)/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 C25H22N2O6S3 MW 542.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6S3/c1-25(2)20(34)17(24-35-18(22(29)32-4)19(36-24)23(30)33-5)15-11-14(31-3)8-9-16(15)27(25)21(28)13-7-6-10-26-12-13/h6-12H,1-5H3InChIKey
GUAYGACFAILFHU-UHFFFAOYSA-NSynonyms
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CN=CC=C4)C=CC(=C3)OC)C
COC(=O)C1=C(SC(=C2c3cc(OC)ccc3N(C(C2=S)(C)C)C(=O)c2cccnc2)S1)C(=O)OC
dimethyl2(6methoxy22dimethyl1(pyridin3ylcarbonyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(6METHOXY22DIMETHYL1(PYRIDINE3CARBONYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6methoxy22dimethyl1nicotinoyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H22N2O6S3c125(2)20(34)17(243518(22(29)324)19(3624)23(30)335)151114(313)8916(15)27(25)21(28)137610261213h612H15H3
MFCD01975669
ZINC000008431970
ZINC08431970
ZINC8431970
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