Vitas-M small molecule compound
4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Catalog ID
STK403768
SMILES CCOc1cc(cc(c1O)Br)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 C26H33BrN2O4 MW 517.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33BrN2O4/c1-5-33-20-12-16(11-17(27)24(20)31)22-21(25(32)29-9-7-6-8-10-29)15(2)28-18-13-26(3,4)14-19(30)23(18)22/h11-12,22,28,31H,5-10,13-14H2,1-4H3InChIKey
YLQCOUZDJNVLCV-UHFFFAOYSA-NSynonyms
4(3bromo5ethoxy4hydroxyphenyl)277trimethyl3(piperidin1ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(3bromo5ethoxy4hydroxyphenyl)277trimethyl3(piperidine1carbonyl)1468tetrahydroquinolin5one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)N4CCCCC4)C)Br)O
InChI=1SC26H33BrN2O4c1533201216(1117(27)24(20)31)2221(25(32)2997681029)15(2)28181326(34)1419(30)23(18)22h1112222831H5101314H214H3
MFCD03632500
ZINC000009497309
ZINC000009497314
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