Vitas-M small molecule compound
diethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789432
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(C)C)C)/S1)C(=O)OCC
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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 C26H31NO5S3 MW 533.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5S3/c1-9-31-23(29)19-20(24(30)32-10-2)35-25(34-19)18-16-11-14(5)15(6)12-17(16)27(22(28)13(3)4)26(7,8)21(18)33/h11-13H,9-10H2,1-8H3InChIKey
DTDGQJYLAJGCIF-UHFFFAOYSA-NSynonyms
332019-14-4332019144
CCOC(=O)C1=C(SC(=C2C3=CC(=C(C=C3N(C(C2=S)(C)C)C(=O)C(C)C)C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)c(cc3N(C(C2=S)(C)C)C(=O)C(C)C)C)S1)C(=O)OCC
diethyl2(1isobutyryl2267tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
diethyl2(2267tetramethyl1(2methylpropanoyl)3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
diethyl2(2267tetramethyl1(2methylpropanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H31NO5S3c193123(29)1920(24(30)32102)3525(3419)18161114(5)15(6)1217(16)27(22(28)13(3)4)26(78)21(18)33h1113H910H218H3
MFCD01171298
ZINC000008440422
ZINC08440422
ZINC8440422
Check stock
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Check stock on Vitas-MAvailable files
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