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Vitas-M small molecule compound

dimethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK006907
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)C(C)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 C22H23NO5S3 MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5S3/c1-11(2)18(24)23-13-10-8-7-9-12(13)14(17(29)22(23,3)4)21-30-15(19(25)27-5)16(31-21)20(26)28-6/h7-11H,1-6H3
InChIKey
XEEKCSCMCXWVAF-UHFFFAOYSA-N
Synonyms
336175-21-4
2(1ISOBUTYRYL22DIMETHYL3THIOXO23DIHYDRO1HQUINOLIN4YLIDENE)(13)DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
2(1ISOBUTYRYL22DIMETHYL3THIOXO4QUINOLYLIDENE)13DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
2(22DIMETHYL1(2METHYL1OXOPROPYL)3SULFANYLIDENE4QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
336175214
CC(C)C(=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(C)C)S1)C(=O)OC
DIMETHYL2(1ISOBUTYRYL22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1isobutyryl22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(22DIMETHYL1(2METHYLPROPANOYL)3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(22DIMETHYL1(2METHYLPROPANOYL)3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC22H23NO5S3c111(2)18(24)23131087912(13)14(17(29)22(233)4)213015(19(25)275)16(3121)20(26)286h711H16H3
METHYL2(22DIMETHYL1(2METHYLPROPANOYL)3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01564931
STK006907
ZINC000006133902
ZINC06133902
ZINC6133902

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Available files

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