Vitas-M small molecule compound
diethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789397
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OCC)C(=O)OCC)/C(=S)C(N2C(=O)CC)(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/c1-7-17(27)26-16-12-11-14(30-8-2)13-15(16)18(21(33)25(26,5)6)24-34-19(22(28)31-9-3)20(35-24)23(29)32-10-4/h11-13H,7-10H2,1-6H3InChIKey
HAFBQZAADKKLSJ-UHFFFAOYSA-NSynonyms
348132-12-7348132127
CCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OCC)C(=O)OCC)C(=S)C(N2C(=O)CC)(C)C
DIETHYL2(6ETHOXY22DIMETHYL1PROPANOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(6ethoxy22dimethyl1propanoyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
diethyl2(6ethoxy22dimethyl1propionyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H29NO6S3c1717(27)2616121114(3082)1315(16)18(21(33)25(265)6)243419(22(28)3193)20(3524)23(29)32104h1113H710H216H3
MFCD01156154
ZINC000059829343
ZINC59829343
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