Vitas-M small molecule compound

ethyl 4-[3-(benzyloxy)phenyl]-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK406095
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CC(C2)c1ccco1

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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 C30H29NO5 MW 483.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO5/c1-3-34-30(33)27-19(2)31-24-16-22(26-13-8-14-35-26)17-25(32)29(24)28(27)21-11-7-12-23(15-21)36-18-20-9-5-4-6-10-20/h4-15,22,28,31H,3,16-18H2,1-2H3
InChIKey
AFUQXZGRBUYNCK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC=CO5)C
ethyl4(3(benzyloxy)phenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
ethyl7(furan2yl)2methyl5oxo4(3phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H29NO5c133430(33)2719(2)31241622(26138143526)1725(32)29(24)28(27)211171223(1521)36182095461020h415222831H31618H212H3
MFCD04216310
ZINC000001129766
ZINC000001129781

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Available files

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