Vitas-M small molecule compound
2-methoxyethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403205
SMILES COCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)c1ccccc1OC
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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 C28H30BrNO7 MW 572.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30BrNO7/c1-15-24(28(33)37-10-9-34-2)25(17-11-19(29)27(32)23(14-17)36-4)26-20(30-15)12-16(13-21(26)31)18-7-5-6-8-22(18)35-3/h5-8,11,14,16,25,30,32H,9-10,12-13H2,1-4H3InChIKey
SFUWGCUCUQRYRM-UHFFFAOYSA-NSynonyms
2methoxyethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OCCOC
InChI=1SC28H30BrNO7c11524(28(33)37109342)25(171119(29)27(32)23(1417)364)2620(3015)1216(1321(26)31)18756822(18)353h58111416253032H9101213H214H3
MFCD03312433
ZINC000003640022
ZINC000003640036
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