Vitas-M small molecule compound

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

Catalog ID
STK403754
SMILES COc1cc(cc(c1O)Cl)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 C25H31ClN2O4 MW 458.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClN2O4/c1-14-20(24(31)28-8-6-5-7-9-28)21(15-10-16(26)23(30)19(11-15)32-4)22-17(27-14)12-25(2,3)13-18(22)29/h10-11,21,27,30H,5-9,12-13H2,1-4H3
InChIKey
YRGDJMNKAWUAOU-UHFFFAOYSA-N
Synonyms

4(3chloro4hydroxy5methoxyphenyl)277trimethyl3(piperidin1ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(3chloro4hydroxy5methoxyphenyl)277trimethyl3(piperidine1carbonyl)1468tetrahydroquinolin5one
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)N4CCCCC4
InChI=1SC25H31ClN2O4c11420(24(31)288657928)21(151016(26)23(30)19(1115)324)2217(2714)1225(23)1318(22)29h1011212730H591213H214H3
MFCD03632485
ZINC000019901262
ZINC000019901263

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Available files

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