Vitas-M small molecule compound
cyclohexyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067587
SMILES COc1cc(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 C30H33NO5 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO5/c1-18-27(30(34)36-22-11-7-4-8-12-22)28(20-13-14-24(32)26(17-20)35-2)29-23(31-18)15-21(16-25(29)33)19-9-5-3-6-10-19/h3,5-6,9-10,13-14,17,21-22,28,31-32H,4,7-8,11-12,15-16H2,1-2H3InChIKey
POBPEYKRVDDYQW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)OC5CCCCC5
COc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
cyclohexyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(4hydroxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H33NO5c11827(30(34)3622117481222)28(20131424(32)26(1720)352)2923(3118)1521(1625(29)33)1995361019h3569101314172122283132H47811121516H212H3
MFCD00771561
STK067587
ZINC000019805418
ZINC000019805425
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