Vitas-M small molecule compound
methyl 4-(3-hydroxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403154
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-14-22(25(29)31-3)23(15-7-6-8-17(27)11-15)24-19(26-14)12-16(13-20(24)28)18-9-4-5-10-21(18)30-2/h4-11,16,23,26-27H,12-13H2,1-3H3InChIKey
PGEQXBVYWKTQPQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OC
InChI=1SC25H25NO5c11422(25(29)313)23(1576817(27)1115)2419(2614)1216(1320(24)28)189451021(18)302h41116232627H1213H213H3
methyl4(3hydroxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(3hydroxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD03371114
ZINC000020109782
ZINC000100745576
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.