Vitas-M small molecule compound
dimethyl 2-{1-[(2E)-but-2-enoyl]-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK007819
SMILES C/C=C/C(=O)N1c2ccccc2/C(=C\2/SC(=C(S2)C(=O)OC)C(=O)OC)/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 C22H21NO5S3 MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S3/c1-6-9-14(24)23-13-11-8-7-10-12(13)15(18(29)22(23,2)3)21-30-16(19(25)27-4)17(31-21)20(26)28-5/h6-11H,1-5H3/b9-6+InChIKey
LHVWZLOQQJPOEM-RMKNXTFCSA-NSynonyms
336175-25-8(E)dimethyl2(1(but2enoyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
336175258
CC=CC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
CC=CC(=O)N1c2ccccc2C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C(=S)C1(C)C
DIMETHYL2(1((2E)BUT2ENOYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1((E)BUT2ENOYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(2BUTENOYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC22H21NO5S3c16914(24)231311871012(13)15(18(29)22(232)3)213016(19(25)274)17(3121)20(26)285h611H15H3b96+
MFCD01560509
STK007819
ZINC000006014676
ZINC06014676
ZINC6014676
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.