Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 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
STK403159
SMILES COc1cc(cc(c1O)Br)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1OC)C(=O)OCCOC(C)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 C30H34BrNO7 MW 600.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H34BrNO7/c1-16(2)38-10-11-39-30(35)26-17(3)32-22-13-18(20-8-6-7-9-24(20)36-4)14-23(33)28(22)27(26)19-12-21(31)29(34)25(15-19)37-5/h6-9,12,15-16,18,27,32,34H,10-11,13-14H2,1-5H3InChIKey
FZIJOJCAIICSRZ-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(3bromo4hydroxy5methoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(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(C)C
InChI=1SC30H34BrNO7c116(2)3810113930(35)2617(3)32221318(20867924(20)364)1423(33)28(22)27(26)191221(31)29(34)25(1519)375h6912151618273234H10111314H215H3
MFCD03371120
ZINC000097939763
ZINC000097939766
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