Vitas-M small molecule compound

4-[4-(benzyloxy)phenyl]-2-[(4-chlorobenzyl)sulfanyl]-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK842039
SMILES N#CC1=C(SCc2ccc(cc2)Cl)NC(=O)CC1c1ccc(cc1)OCc1ccccc1

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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 C26H21ClN2O2S MW 460.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21ClN2O2S/c27-21-10-6-19(7-11-21)17-32-26-24(15-28)23(14-25(30)29-26)20-8-12-22(13-9-20)31-16-18-4-2-1-3-5-18/h1-13,23H,14,16-17H2,(H,29,30)
InChIKey
BPSINXYAEIUVAI-UHFFFAOYSA-N
Synonyms
489441-68-1
4(4(benzyloxy)phenyl)2((4chlorobenzyl)sulfanyl)6oxo1456tetrahydropyridine3carbonitrile
4(4(benzyloxy)phenyl)2((4chlorobenzyl)thio)6oxo1456tetrahydropyridine3carbonitrile
489441681
6((4CHLOROPHENYL)METHYLSULFANYL)2OXO4(4PHENYLMETHOXYPHENYL)34DIHYDRO1HPYRIDINE5CARBONITRILE
C1C(C(=C(NC1=O)SCC2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI=1SC26H21ClN2O2Sc272110619(71121)17322624(1528)23(1425(30)2926)2081222(13920)3116184213518h11323H141617H2(H2930)
MFCD03297216
ZINC000009012479
ZINC000009014552

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Available files

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