Vitas-M small molecule compound
dimethyl 2-(1-acetyl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
Catalog ID
STK070343
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)C)/S1)C(=O)OC
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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 C20H19NO5S3 MW 449.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO5S3/c1-10(22)21-12-9-7-6-8-11(12)13(16(27)20(21,2)3)19-28-14(17(23)25-4)15(29-19)18(24)26-5/h6-9H,1-5H3InChIKey
DYQAGCYCJHDGGI-UHFFFAOYSA-NSynonyms
258267-15-1258267151
CC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)C)S1)C(=O)OC
DIMETHYL2(1ACETYL22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1ACETYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1ACETYL22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC20H19NO5S3c110(22)2112976811(12)13(16(27)20(212)3)192814(17(23)254)15(2919)18(24)265h69H15H3
METHYL2(1ACETYL22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD00627116
STK070343
ZINC000006073669
ZINC06073669
ZINC6073669
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.