Vitas-M small molecule compound

4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-[(4-chlorobenzyl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK885574
SMILES N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1cc(Br)c(c(c1)OC)O

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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 C20H16BrClN2O3S MW 479.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O3S/c1-27-17-7-12(6-16(21)19(17)26)14-8-18(25)24-20(15(14)9-23)28-10-11-2-4-13(22)5-3-11/h2-7,14,26H,8,10H2,1H3,(H,24,25)
InChIKey
BKSPGUWMMCOTNN-UHFFFAOYSA-N
Synonyms
497940-45-1
4(3bromo4hydroxy5methoxyphenyl)2((4chlorobenzyl)sulfanyl)6oxo1456tetrahydropyridine3carbonitrile
4(3bromo4hydroxy5methoxyphenyl)2((4chlorobenzyl)thio)6oxo1456tetrahydropyridine3carbonitrile
4(3BROMO4HYDROXY5METHOXYPHENYL)6((4CHLOROPHENYL)METHYLSULFANYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
497940451
COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=C(C=C3)Cl)Br)O
InChI=1SC20H16BrClN2O3Sc12717712(616(21)19(17)26)14818(25)2420(15(14)923)2810112413(22)5311h271426H810H21H3(H2425)
MFCD03301202
ZINC000002347293

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Available files

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