Vitas-M small molecule compound

1-(3,4-dihydroquinolin-1(2H)-yl)-2-(4-iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethanone

Catalog ID
STK689458
SMILES O=C(N1CCCc2c1cccc2)Cn1nc(c(c1C)I)C

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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 C16H18IN3O MW 395.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18IN3O/c1-11-16(17)12(2)20(18-11)10-15(21)19-9-5-7-13-6-3-4-8-14(13)19/h3-4,6,8H,5,7,9-10H2,1-2H3
InChIKey
RSPBCTDLKHUXMJ-UHFFFAOYSA-N
Synonyms

1(34DIHYDRO2HQUINOLIN1YL)2(4IODO35DIMETHYLPYRAZOL1YL)ETHANONE
1(34dihydroquinolin1(2H)yl)2(4iodo35dimethyl1Hpyrazol1yl)ethanone
CC1=C(C(=NN1CC(=O)N2CCCC3=CC=CC=C32)C)I
InChI=1SC16H18IN3Oc11116(17)12(2)20(1811)1015(21)1995713634814(13)19h3468H57910H212H3
MFCD08142871
ZINC000006668607
ZINC06668607
ZINC6668607

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Available files

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