Vitas-M small molecule compound
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363183
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CCC2
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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 C19H20BrNO5 MW 422.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20BrNO5/c1-9-15(19(24)26-3)16(17-12(21-9)5-4-6-13(17)22)10-7-11(20)18(23)14(8-10)25-2/h7-8,16,21,23H,4-6H2,1-3H3InChIKey
QGTAUUCNYSAFKW-UHFFFAOYSA-NSynonyms
299451-67-5299451675
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC
InChI=1SC19H20BrNO5c1915(19(24)263)16(1712(219)54613(17)22)10711(20)18(23)14(810)252h78162123H46H213H3
methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromo4hydroxy5methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD00717833
ZINC000000627466
ZINC000000627470
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