Vitas-M small molecule compound
methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371669
SMILES COC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OC)O)C(=O)CC(C2)(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 C21H24BrNO5 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrNO5/c1-10-16(20(26)28-5)17(11-6-12(22)19(25)15(7-11)27-4)18-13(23-10)8-21(2,3)9-14(18)24/h6-7,17,23,25H,8-9H2,1-5H3InChIKey
XOVCUROHGDFEEW-UHFFFAOYSA-NSynonyms
299404-79-8299404798
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC
InChI=1SC21H24BrNO5c11016(20(26)285)17(11612(22)19(25)15(711)274)1813(2310)821(23)914(18)24h67172325H89H215H3
methyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3bromo4hydroxy5methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00344279
ZINC000000627041
ZINC000000627047
Check stock
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Check stock on Vitas-MAvailable files
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