Vitas-M small molecule compound
2-phenoxyethyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402480
SMILES Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCCOc1ccccc1
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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 C31H29NO5 MW 495.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO5/c1-20-28(31(35)37-16-15-36-25-13-6-3-7-14-25)29(22-11-8-12-24(33)17-22)30-26(32-20)18-23(19-27(30)34)21-9-4-2-5-10-21/h2-14,17,23,29,32-33H,15-16,18-19H2,1H3InChIKey
HMMAREBPFUATQM-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(3hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenoxyethyl4(3hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)O)C(=O)OCCOC5=CC=CC=C5
InChI=1SC31H29NO5c12028(31(35)3716153625136371425)29(221181224(33)1722)3026(3220)1823(1927(30)34)2194251021h2141723293233H15161819H21H3
MFCD01590119
ZINC000002774593
ZINC000095483555
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