Vitas-M small molecule compound

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

Catalog ID
STK363368
SMILES O=C1CC(C)(C)CC2=C1C(c1ccc(cc1)OCc1ccccc1)C(=C(N2)C)C(=O)OCCc1ccccc1

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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 C34H35NO4 MW 521.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35NO4/c1-23-30(33(37)38-19-18-24-10-6-4-7-11-24)31(32-28(35-23)20-34(2,3)21-29(32)36)26-14-16-27(17-15-26)39-22-25-12-8-5-9-13-25/h4-17,31,35H,18-22H2,1-3H3
InChIKey
XEOOTNSYOXYHSE-UHFFFAOYSA-N
Synonyms

2phenylethyl277trimethyl5oxo4(4phenylmethoxyphenyl)1468tetrahydroquinoline3carboxylate
2phenylethyl4(4(benzyloxy)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5
InChI=1SC34H35NO4c12330(33(37)38191824106471124)31(3228(3523)2034(23)2129(32)36)26141627(171526)392225128591325h4173135H1822H213H3
MFCD01191848
ZINC000002758279
ZINC000002758280

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Available files

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