Vitas-M small molecule compound

dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(2-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK789762
SMILES CCOc1ccc2c(c1)/C(=C\1/SC(=C(S1)C(=O)OC)C(=O)OC)/C(=S)C(N2C(=O)C(CC)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/c1-8-13(3)21(27)26-16-11-10-14(32-9-2)12-15(16)17(20(33)25(26,4)5)24-34-18(22(28)30-6)19(35-24)23(29)31-7/h10-13H,8-9H2,1-7H3
InChIKey
PSADFNSHINOYPP-UHFFFAOYSA-N
Synonyms
309291-47-2
309291472
CCC(C)C(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
CCOc1ccc2c(c1)C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C(CC)C)(C)C
DIMETHYL2(6ETHOXY22DIMETHYL1(2METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL1(2METHYLBUTANOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(6ethoxy22dimethyl1(2methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC25H29NO6S3c1813(3)21(27)2616111014(3292)1215(16)17(20(33)25(264)5)243418(22(28)306)19(3524)23(29)317h1013H89H217H3
MFCD01859405
ZINC000008426252
ZINC000008426253

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.