Vitas-M small molecule compound
cyclopentyl 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
STK403126
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1cc(Br)c(c(c1)OC)O)C(=O)OC1CCCC1)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 C30H32BrNO6 MW 582.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO6/c1-16-26(30(35)38-19-8-4-5-9-19)27(18-12-21(31)29(34)25(15-18)37-3)28-22(32-16)13-17(14-23(28)33)20-10-6-7-11-24(20)36-2/h6-7,10-12,15,17,19,27,32,34H,4-5,8-9,13-14H2,1-3H3InChIKey
ZKZHZOPWOFTJAX-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)OC5CCCC5
cyclopentyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32BrNO6c11626(30(35)3819845919)27(181221(31)29(34)25(1518)373)2822(3216)1317(1423(28)33)2010671124(20)362h671012151719273234H45891314H213H3
MFCD03371097
ZINC000001155696
ZINC000001155699
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