Vitas-M small molecule compound
diethyl 2-[2,2,6-trimethyl-1-(3-methylbutanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK789393
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)/S1)C(=O)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 C26H31NO5S3 MW 533.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO5S3/c1-8-31-23(29)20-21(24(30)32-9-2)35-25(34-20)19-16-13-15(5)10-11-17(16)27(18(28)12-14(3)4)26(6,7)22(19)33/h10-11,13-14H,8-9,12H2,1-7H3InChIKey
UTCWFIQJCCSRGO-UHFFFAOYSA-NSynonyms
331640-25-6331640256
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C(=O)CC(C)C)S1)C(=O)OCC
DIETHYL2(226TRIMETHYL1(3METHYLBUTANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(226TRIMETHYL1(3METHYLBUTANOYL)3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
diethyl2(226trimethyl1(3methylbutanoyl)3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC26H31NO5S3c183123(29)2021(24(30)3292)3525(3420)19161315(5)101117(16)27(18(28)1214(3)4)26(67)22(19)33h10111314H8912H217H3
MFCD01156144
ZINC000006545819
ZINC06545819
ZINC6545819
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.