Vitas-M small molecule compound
propyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363789
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccc(cc1)OC
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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 C28H30BrNO6 MW 556.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO6/c1-5-10-36-28(33)24-15(2)30-21-12-17(16-6-8-19(34-3)9-7-16)13-22(31)26(21)25(24)18-11-20(29)27(32)23(14-18)35-4/h6-9,11,14,17,25,30,32H,5,10,12-13H2,1-4H3InChIKey
RBPYSUXUCHVSBR-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)C4=CC=C(C=C4)OC)C
InChI=1SC28H30BrNO6c15103628(33)2415(2)30211217(166819(343)9716)1322(31)26(21)25(24)181120(29)27(32)23(1418)354h69111417253032H5101213H214H3
MFCD01824383
propyl4(3bromo4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propyl4(3bromo4hydroxy5methoxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002776495
ZINC000002776498
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