Vitas-M small molecule compound

N-(4-bromophenyl)-2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetamide

Catalog ID
STK030589
SMILES N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(c2c1CCCC2)CC

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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 C20H20BrN3OS MW 430.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3OS/c1-2-18-16-6-4-3-5-15(16)17(11-22)20(24-18)26-12-19(25)23-14-9-7-13(21)8-10-14/h7-10H,2-6,12H2,1H3,(H,23,25)
InChIKey
HKSSNFZEPQVTHM-UHFFFAOYSA-N
Synonyms

CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N
InChI=1SC20H20BrN3OSc121816643515(16)17(1122)20(2418)261219(25)23149713(21)81014h710H2612H21H3(H2325)
MFCD02328746
N#Cc1c(SCC(=O)Nc2ccc(cc2)Br)nc(c2c1CCCC2)CC
N(4bromophenyl)2((4cyano1ethyl5678tetrahydroisoquinolin3yl)sulfanyl)acetamide
N(4bromophenyl)2((4cyano1ethyl5678tetrahydroisoquinolin3yl)thio)acetamide
STK030589
ZINC000000622673
ZINC00622673
ZINC622673

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Available files

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