Vitas-M small molecule compound
4-(5-bromo-2-fluorophenyl)-2-methyl-3-(morpholin-4-ylcarbonyl)-4,6,7,8-tetrahydroquinolin-5(1H)-one
Catalog ID
STK403994
SMILES Brc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)N1CCOCC1)F
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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 C21H22BrFN2O3 MW 449.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrFN2O3/c1-12-18(21(27)25-7-9-28-10-8-25)19(14-11-13(22)5-6-15(14)23)20-16(24-12)3-2-4-17(20)26/h5-6,11,19,24H,2-4,7-10H2,1H3InChIKey
UDVSDCBCIAUSSZ-UHFFFAOYSA-NSynonyms
4(5bromo2fluorophenyl)2methyl3(morpholin4ylcarbonyl)4678tetrahydroquinolin5(1H)one
4(5bromo2fluorophenyl)2methyl3(morpholine4carbonyl)4678tetrahydro1Hquinolin5one
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=CC(=C3)Br)F)C(=O)N4CCOCC4
InChI=1SC21H22BrFN2O3c11218(21(27)25792810825)19(141113(22)5615(14)23)2016(2412)32417(20)26h56111924H24710H21H3
MFCD04056780
ZINC000000815982
ZINC000000815983
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