Vitas-M small molecule compound

N-(4-bromophenyl)-2-{[3,5-dicyano-6-hydroxy-4-(2-methylphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetamide

Catalog ID
STK560363
SMILES N#CC1C(=NC(=C(C1c1ccccc1C)C#N)SCC(=O)Nc1ccc(cc1)Br)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 C22H17BrN4O2S MW 481.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4O2S/c1-13-4-2-3-5-16(13)20-17(10-24)21(29)27-22(18(20)11-25)30-12-19(28)26-15-8-6-14(23)7-9-15/h2-9,17,20H,12H2,1H3,(H,26,28)(H,27,29)
InChIKey
YZGIBELLBWJFLI-UHFFFAOYSA-N
Synonyms

CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)C#N
InChI=1SC22H17BrN4O2Sc113423516(13)2017(1024)21(29)2722(18(20)1125)301219(28)26158614(23)7915h291720H12H21H3(H2628)(H2729)
MFCD03796401
N(4bromophenyl)2((35dicyano6hydroxy4(2methylphenyl)45dihydropyridin2yl)sulfanyl)acetamide
ZINC000002293852
ZINC000002293855

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Available files

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