Vitas-M small molecule compound

2-phenylethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK027030
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1)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 C27H29NO3 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO3/c1-18-23(26(30)31-15-14-19-10-6-4-7-11-19)24(20-12-8-5-9-13-20)25-21(28-18)16-27(2,3)17-22(25)29/h4-13,24,28H,14-17H2,1-3H3
InChIKey
XWFFSUIVXCBSFT-UHFFFAOYSA-N
Synonyms

2phenylethyl277trimethyl5oxo4phenyl145678hexahydroquinoline3carboxylate
2phenylethyl277trimethyl5oxo4phenyl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4
InChI=1SC27H29NO3c11823(26(30)31151419106471119)24(20128591320)2521(2818)1627(23)1722(25)29h4132428H1417H213H3
MFCD01193787
O=C(C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)OCCc1ccccc1
STK027030
ZINC000001080974
ZINC000019848665

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Available files

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