Vitas-M small molecule compound

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

Catalog ID
STK060864
SMILES CCC(C(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)C)CC

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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 C25H29NO5S3 MW 519.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO5S3/c1-8-14(9-2)21(27)26-16-11-10-13(3)12-15(16)17(20(32)25(26,4)5)24-33-18(22(28)30-6)19(34-24)23(29)31-7/h10-12,14H,8-9H2,1-7H3
InChIKey
BYFNQTAQUNLODV-UHFFFAOYSA-N
Synonyms

CCC(C(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)C)CC
CCC(CC)C(=O)N1C2=C(C=C(C=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(1(2ETHYLBUTANOYL)226TRIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2ETHYLBUTANOYL)226TRIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC25H29NO5S3c1814(92)21(27)2616111013(3)1215(16)17(20(32)25(264)5)243318(22(28)306)19(3424)23(29)317h101214H89H217H3
METHYL2(1(2ETHYLBUTANOYL)226TRIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD02240156
STK060864
ZINC000009968847
ZINC09968847
ZINC9968847

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Available files

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