Vitas-M small molecule compound

2-phenylethyl 2,7,7-trimethyl-4-(naphthalen-1-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK043678
SMILES O=C(C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(C)C)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 C31H31NO3 MW 465.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO3/c1-20-27(30(34)35-17-16-21-10-5-4-6-11-21)28(24-15-9-13-22-12-7-8-14-23(22)24)29-25(32-20)18-31(2,3)19-26(29)33/h4-15,28,32H,16-19H2,1-3H3
InChIKey
IGDQTXZQCBFZPQ-UHFFFAOYSA-N
Synonyms

2phenylethyl277trimethyl4(naphthalen1yl)5oxo145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl4naphthalen1yl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC4=CC=CC=C43)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H31NO3c12027(30(34)35171621105461121)28(24159132212781423(22)24)2925(3220)1831(23)1926(29)33h4152832H1619H213H3
MFCD01193853
O=C(C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(C)C)OCCc1ccccc1
STK043678
ZINC000002758183
ZINC000002758184

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Available files

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