Vitas-M small molecule compound
diethyl 2-(1-butanoyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK051412
SMILES CCCC(=O)N1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OCC)C(=O)OCC)/C(=S)C1(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 C24H27NO5S3 MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5S3/c1-6-11-16(26)25-15-13-10-9-12-14(15)17(20(31)24(25,4)5)23-32-18(21(27)29-7-2)19(33-23)22(28)30-8-3/h9-10,12-13H,6-8,11H2,1-5H3InChIKey
NUXHFIUBFFDQHZ-UHFFFAOYSA-NSynonyms
317844-62-5317844625
CCCC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
CCCC(=O)N1c2ccccc2C(=C2SC(=C(S2)C(=O)OCC)C(=O)OCC)C(=S)C1(C)C
DIETHYL2(1BUTANOYL22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1BUTANOYL22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(1BUTYRYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(1butyryl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC24H27NO5S3c161116(26)2515131091214(15)17(20(31)24(254)5)233218(21(27)2972)19(3323)22(28)3083h9101213H6811H215H3
MFCD01156133
STK051412
ZINC000006471555
ZINC06471555
ZINC6471555
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.