Vitas-M small molecule compound
propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363174
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(C)C
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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 C21H24BrNO5 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO5/c1-10(2)28-21(26)17-11(3)23-14-6-5-7-15(24)19(14)18(17)12-8-13(22)20(25)16(9-12)27-4/h8-10,18,23,25H,5-7H2,1-4H3InChIKey
GWPFFRCJJVYBJB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC(C)C
InChI=1SC21H24BrNO5c110(2)2821(26)1711(3)231465715(24)19(14)18(17)12813(22)20(25)16(912)274h810182325H57H214H3
MFCD00717845
propan2yl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000019536314
ZINC000019536317
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