Vitas-M small molecule compound

diethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate

Catalog ID
STK052069
SMILES CCOC(=O)C1=C(S/C(=C\2/c3cc(C)ccc3N(C(C2=S)(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 C22H25NO4S3 MW 463.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4S3/c1-7-26-19(24)16-17(20(25)27-8-2)30-21(29-16)15-13-11-12(3)9-10-14(13)23(6)22(4,5)18(15)28/h9-11H,7-8H2,1-6H3
InChIKey
PSJMVPPPADLXFV-UHFFFAOYSA-N
Synonyms
296272-66-7
296272667
CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C)S1)C(=O)OCC
CCOC(=O)C1=C(SC(=C2c3cc(C)ccc3N(C(C2=S)(C)C)C)S1)C(=O)OCC
diethyl2(1226tetramethyl3sulfanylidenequinolin4ylidene)13dithiole45dicarboxylate
diethyl2(1226tetramethyl3thioxo23dihydroquinolin4(1H)ylidene)13dithiole45dicarboxylate
InChI=1SC22H25NO4S3c172619(24)1617(20(25)2782)3021(2916)15131112(3)91014(13)23(6)22(45)18(15)28h911H78H216H3
MFCD00568066
STK052069
ZINC000003878847
ZINC03878847
ZINC3878847

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Available files

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