Vitas-M small molecule compound
cyclohexyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK044813
SMILES CC(=O)Oc1ccc(cc1)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 C31H33NO5 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO5/c1-19-28(31(35)37-24-11-7-4-8-12-24)29(22-13-15-25(16-14-22)36-20(2)33)30-26(32-19)17-23(18-27(30)34)21-9-5-3-6-10-21/h3,5-6,9-10,13-16,23-24,29,32H,4,7-8,11-12,17-18H2,1-2H3InChIKey
NYHUOVDGHFNILE-UHFFFAOYSA-NSynonyms
CC(=O)Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC(=O)C)C(=O)OC5CCCCC5
cyclohexyl4(4(acetyloxy)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(4acetyloxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H33NO5c11928(31(35)3724117481224)29(22131525(161422)3620(2)33)3026(3219)1723(1827(30)34)2195361021h356910131623242932H47811121718H212H3
MFCD01445605
STK044813
ZINC000000651941
ZINC000000651956
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