Vitas-M small molecule compound
cyclohexyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK096505
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CCC2)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 C30H33NO4 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO4/c1-20-27(30(33)35-22-13-6-3-7-14-22)28(29-24(31-20)16-10-17-25(29)32)23-15-8-9-18-26(23)34-19-21-11-4-2-5-12-21/h2,4-5,8-9,11-12,15,18,22,28,31H,3,6-7,10,13-14,16-17,19H2,1H3InChIKey
PGXUPARUXQXBHM-UHFFFAOYSA-NSynonyms
299453-34-2299453342
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OC5CCCCC5
cyclohexyl2methyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
cyclohexyl4(2(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC30H33NO4c12027(30(33)3522136371422)28(2924(3120)16101725(29)32)2315891826(23)341921114251221h2458911121518222831H367101314161719H21H3
MFCD00771183
O=C(C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CCC2)OC1CCCCC1
STK096505
ZINC000002057155
ZINC000002057156
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