Vitas-M small molecule compound

4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one

Catalog ID
STK403788
SMILES COc1ccc(cc1Br)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)N1CCCCC1

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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 C25H31BrN2O3 MW 487.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31BrN2O3/c1-15-21(24(30)28-10-6-5-7-11-28)22(16-8-9-20(31-4)17(26)12-16)23-18(27-15)13-25(2,3)14-19(23)29/h8-9,12,22,27H,5-7,10-11,13-14H2,1-4H3
InChIKey
KEIODEBUAJSKHE-UHFFFAOYSA-N
Synonyms

4(3bromo4methoxyphenyl)277trimethyl3(piperidin1ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(3bromo4methoxyphenyl)277trimethyl3(piperidine1carbonyl)1468tetrahydroquinolin5one
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)N4CCCCC4
InChI=1SC25H31BrN2O3c11521(24(30)28106571128)22(168920(314)17(26)1216)2318(2715)1325(23)1419(23)29h89122227H5710111314H214H3
MFCD03632522
ZINC000019901242
ZINC000019901244

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Available files

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