Vitas-M small molecule compound

cyclohexyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK374957
SMILES Oc1cccc(c1)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 C29H31NO4 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO4/c1-18-26(29(33)34-23-13-6-3-7-14-23)27(20-11-8-12-22(31)15-20)28-24(30-18)16-21(17-25(28)32)19-9-4-2-5-10-19/h2,4-5,8-12,15,21,23,27,30-31H,3,6-7,13-14,16-17H2,1H3
InChIKey
BZCMGWNRCVFGIK-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)O)C(=O)OC5CCCCC5
cyclohexyl4(3hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(3hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H31NO4c11826(29(33)3423136371423)27(201181222(31)1520)2824(3018)1621(1725(28)32)1994251019h245812152123273031H36713141617H21H3
MFCD01081263
ZINC000019760496
ZINC000100519496

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.