Vitas-M small molecule compound
cyclohexyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK375298
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
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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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-3-36-27-18-21(14-15-25(27)33)29-28(31(35)37-23-12-8-5-9-13-23)19(2)32-24-16-22(17-26(34)30(24)29)20-10-6-4-7-11-20/h4,6-7,10-11,14-15,18,22-23,29,32-33H,3,5,8-9,12-13,16-17H2,1-2H3InChIKey
CYPVXLXUJIHCOZ-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC5CCCCC5)C)O
cyclohexyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO5c1336271821(141525(27)33)2928(31(35)3723128591323)19(2)32241622(1726(34)30(24)29)20106471120h46710111415182223293233H358912131617H212H3
MFCD01136958
ZINC000000822771
ZINC000000822774
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