Vitas-M small molecule compound

2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3-methylphenyl)acetamide

Catalog ID
STK842073
SMILES N#CC1=C(SCC(=O)Nc2cccc(c2)C)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 C28H25N3O3S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O3S/c1-19-6-5-9-22(14-19)30-27(33)18-35-28-25(16-29)24(15-26(32)31-28)21-10-12-23(13-11-21)34-17-20-7-3-2-4-8-20/h2-14,24H,15,17-18H2,1H3,(H,30,33)(H,31,32)
InChIKey
RDYDBGPOLQVWMS-UHFFFAOYSA-N
Synonyms
489416-06-0
2((4(4(benzyloxy)phenyl)3cyano6oxo1456tetrahydropyridin2yl)sulfanyl)N(3methylphenyl)acetamide
2((4(4(benzyloxy)phenyl)3cyano6oxo1456tetrahydropyridin2yl)thio)N(mtolyl)acetamide
2((5CYANO2OXO4(4PHENYLMETHOXYPHENYL)34DIHYDRO1HPYRIDIN6YL)SULFANYL)N(3METHYLPHENYL)ACETAMIDE
489416060
CC1=CC(=CC=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N
InChI=1SC28H25N3O3Sc11965922(1419)3027(33)18352825(1629)24(1526(32)3128)21101223(131121)3417207324820h21424H151718H21H3(H3033)(H3132)
MFCD03296549
ZINC000009089566
ZINC000009089567

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.