Vitas-M small molecule compound

ethyl 5-cyano-6-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-4-(2-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK826338
SMILES CCOC(=O)CC(=O)CSC1=C(C#N)C(C(C(=O)N1)C(=O)OCC)c1ccccc1F

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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 C21H21FN2O6S MW 448.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O6S/c1-3-29-16(26)9-12(25)11-31-20-14(10-23)17(13-7-5-6-8-15(13)22)18(19(27)24-20)21(28)30-4-2/h5-8,17-18H,3-4,9,11H2,1-2H3,(H,24,27)
InChIKey
WWMKYRCQEAUKDS-UHFFFAOYSA-N
Synonyms
797021-39-7
797021397
CCOC(=O)CC(=O)CSC1=C(C(C(C(=O)N1)C(=O)OCC)C2=CC=CC=C2F)C#N
ethyl5cyano6((4ethoxy24dioxobutyl)sulfanyl)4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ethyl5cyano6((4ethoxy24dioxobutyl)thio)4(2fluorophenyl)2oxo1234tetrahydropyridine3carboxylate
ETHYL5CYANO6(4ETHOXY24DIOXOBUTYL)SULFANYL4(2FLUOROPHENYL)2OXO34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC21H21FN2O6Sc132916(26)912(25)11312014(1023)17(13756815(13)22)18(19(27)2420)21(28)3042h581718H34911H212H3(H2427)
MFCD03663862
ZINC000002367824
ZINC000002367828

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Available files

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