Vitas-M small molecule compound
cyclopentyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK011609
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1)C(=O)OC1CCCC1)C
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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(32)34-23-10-6-7-11-23)27(20-8-4-3-5-9-20)28-24(30-18)16-21(17-25(28)31)19-12-14-22(33-2)15-13-19/h3-5,8-9,12-15,21,23,27,30H,6-7,10-11,16-17H2,1-2H3InChIKey
IBDCQPONYFIXBR-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C(=O)OC5CCCC5
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1)C(=O)OC1CCCC1)C
cyclopentyl7(4methoxyphenyl)2methyl5oxo4phenyl145678hexahydroquinoline3carboxylate
cyclopentyl7(4methoxyphenyl)2methyl5oxo4phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H31NO4c11826(29(32)342310671123)27(208435920)2824(3018)1621(1725(28)31)19121422(332)151319h3589121521232730H6710111617H212H3
MFCD02632895
STK011609
ZINC000001201756
ZINC000001201768
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