Vitas-M small molecule compound
cyclopentyl 4-(4-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK378729
SMILES COc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC1CCCC1)c1ccc(cc1)O
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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 C29H31NO5 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31NO5/c1-17-26(29(33)35-23-5-3-4-6-23)27(19-7-11-21(31)12-8-19)28-24(30-17)15-20(16-25(28)32)18-9-13-22(34-2)14-10-18/h7-14,20,23,27,30-31H,3-6,15-16H2,1-2H3InChIKey
FYZRAKPJTBWNPF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)O)C(=O)OC5CCCC5
cyclopentyl4(4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4hydroxyphenyl)7(4methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H31NO5c11726(29(33)3523534623)27(1971121(31)12819)2824(3017)1520(1625(28)32)1891322(342)141018h7142023273031H361516H212H3
MFCD01824419
ZINC000019881009
ZINC000019881017
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