Vitas-M small molecule compound
diethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK026366
SMILES CCOC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)C(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 C24H27NO5S3 MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5S3/c1-7-29-21(27)17-18(22(28)30-8-2)33-23(32-17)16-14-11-9-10-12-15(14)25(20(26)13(3)4)24(5,6)19(16)31/h9-13H,7-8H2,1-6H3InChIKey
MDBKTSVOKAZQCN-UHFFFAOYSA-NSynonyms
309265-57-4309265574
CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)C(C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)C(C)C)S1)C(=O)OCC
diethyl2(1isobutyryl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIETHYL2(22DIMETHYL1(2METHYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIETHYL2(22DIMETHYL1(2METHYLPROPANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
ETHYL2(22DIMETHYL1(2METHYLPROPANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(ETHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
InChI=1SC24H27NO5S3c172921(27)1718(22(28)3082)3323(3217)1614119101215(14)25(20(26)13(3)4)24(56)19(16)31h913H78H216H3
MFCD01156134
STK026366
ZINC000006545833
ZINC06545833
ZINC6545833
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.