Vitas-M small molecule compound

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

Catalog ID
STK045302
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CCC2)OCc1ccccc1

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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 C31H29NO4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO4/c1-21-28(31(34)36-20-23-12-6-3-7-13-23)29(30-26(32-21)16-9-17-27(30)33)24-14-8-15-25(18-24)35-19-22-10-4-2-5-11-22/h2-8,10-15,18,29,32H,9,16-17,19-20H2,1H3
InChIKey
XSHJVDGRRMZQKS-UHFFFAOYSA-N
Synonyms

benzyl2methyl5oxo4(3phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
benzyl4(3(benzyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI=1SC31H29NO4c12128(31(34)362023126371323)29(3026(3221)1691727(30)33)241481525(1824)351922104251122h281015182932H916171920H21H3
MFCD02188600
O=C(C1=C(C)NC2=C(C1c1cccc(c1)OCc1ccccc1)C(=O)CCC2)OCc1ccccc1
STK045302
ZINC000001213360
ZINC000001213364

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Available files

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