Vitas-M small molecule compound
4-(3-bromo-4,5-diethoxyphenyl)-2,7,7-trimethyl-3-(piperidin-1-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Catalog ID
STK407388
SMILES CCOc1cc(cc(c1OCC)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 C28H37BrN2O4 MW 545.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37BrN2O4/c1-6-34-22-14-18(13-19(29)26(22)35-7-2)24-23(27(33)31-11-9-8-10-12-31)17(3)30-20-15-28(4,5)16-21(32)25(20)24/h13-14,24,30H,6-12,15-16H2,1-5H3InChIKey
NNTNZMHYXHBDQA-UHFFFAOYSA-NSynonyms
4(3bromo45diethoxyphenyl)277trimethyl3(piperidin1ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(3bromo45diethoxyphenyl)277trimethyl3(piperidine1carbonyl)1468tetrahydroquinolin5one
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)N4CCCCC4)C)Br)OCC
InChI=1SC28H37BrN2O4c1634221418(1319(29)26(22)3572)2423(27(33)311198101231)17(3)30201528(45)1621(32)25(20)24h13142430H6121516H215H3
MFCD04057037
ZINC000029749027
ZINC000029749031
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