Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 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
STK403059
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)C(=O)OCC1CCCO1
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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 C30H32BrNO7 MW 598.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrNO7/c1-16-26(30(35)39-15-19-7-6-10-38-19)27(18-11-21(31)29(34)25(14-18)37-3)28-22(32-16)12-17(13-23(28)33)20-8-4-5-9-24(20)36-2/h4-5,8-9,11,14,17,19,27,32,34H,6-7,10,12-13,15H2,1-3H3InChIKey
NVAYIMNXZLAEQS-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)OCC5CCCO5
InChI=1SC30H32BrNO7c11626(30(35)39151976103819)27(181121(31)29(34)25(1418)373)2822(3216)1217(1323(28)33)20845924(20)362h458911141719273234H6710121315H213H3
MFCD03371064
oxolan2ylmethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000003639949
ZINC000239165286
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