Vitas-M small molecule compound

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

Catalog ID
STK074367
SMILES CCCCC(=O)N1c2ccc(cc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/C(=S)C1(C)C)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 C25H29NO6S3 MW 535.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO6S3/c1-7-9-10-17(27)26-16-12-11-14(32-8-2)13-15(16)18(21(33)25(26,3)4)24-34-19(22(28)30-5)20(35-24)23(29)31-6/h11-13H,7-10H2,1-6H3
InChIKey
HEMSFISGKQIIAX-UHFFFAOYSA-N
Synonyms
309293-50-3
309293503
CCCCC(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
CCCCC(=O)N1c2ccc(cc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C)OCC
DIMETHYL2(6ETHOXY22DIMETHYL1PENTANOYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(6ETHOXY22DIMETHYL1PENTANOYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC25H29NO6S3c1791017(27)2616121114(3282)1315(16)18(21(33)25(263)4)243419(22(28)305)20(3524)23(29)316h1113H710H216H3
MFCD01562295
STK074367
ZINC000006471667
ZINC6471667

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Available files

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