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Vitas-M small molecule compound

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

Catalog ID
STK064989
SMILES COC(=O)C1=C(S/C(=C\2/c3ccccc3N(C(C2=S)(C)C)C(=O)C2CC2)/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 C22H21NO5S3 MW 475.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21NO5S3/c1-22(2)17(29)14(21-30-15(19(25)27-3)16(31-21)20(26)28-4)12-7-5-6-8-13(12)23(22)18(24)11-9-10-11/h5-8,11H,9-10H2,1-4H3
InChIKey
HMBWBWVQCQYRGF-UHFFFAOYSA-N
Synonyms
330833-97-1
2(1(CYCLOPROPANECARBONYL)22DIMETHYL3THIOXO4QUINOLYLIDENE)13DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
2(1(CYCLOPROPYL(OXO)METHYL)22DIMETHYL3SULFANYLIDENE4QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
2(1CYCLOPROPANECARBONYL22DIMETHYL3THIOXO23DIHYDRO1HQUINOLIN4YLIDENE)(13)DITHIOLE45DICARBOXYLICACIDDIMETHYLESTER
330833971
CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4CC4)C
COC(=O)C1=C(SC(=C2c3ccccc3N(C(C2=S)(C)C)C(=O)C2CC2)S1)C(=O)OC
DIMETHYL2(1(CYCLOPROPANECARBONYL)22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
dimethyl2(1(cyclopropanecarbonyl)22dimethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
DIMETHYL2(1(CYCLOPROPYLCARBONYL)22DIMETHYL3THIOXO23DIHYDRO4(1H)QUINOLINYLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1(CYCLOPROPYLCARBONYL)22DIMETHYL3THIOXO23DIHYDROQUINOLIN4(1H)YLIDENE)13DITHIOLE45DICARBOXYLATE
DIMETHYL2(1CYCLOPROPYLCARBONYL22DIMETHYL3SULFANYLIDENEQUINOLIN4YLIDENE)13DITHIOLE45DICARBOXYLATE
InChI=1SC22H21NO5S3c122(2)17(29)14(213015(19(25)273)16(3121)20(26)284)12756813(12)23(22)18(24)1191011h5811H910H214H3
METHYL2(1(CYCLOPROPYLCARBONYL)22DIMETHYL3THIOXO(412DIHYDROQUINOLYLIDENE))5(METHOXYCARBONYL)13DITHIOLENE4CARBOXYLATE
MFCD01796180
STK064989
ZINC000006190984
ZINC06190984
ZINC6190984

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Available files

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