Vitas-M small molecule compound

2-phenoxyethyl 2-methyl-4-(3-nitrophenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK089753
SMILES O=C(C1=C(C)NC2=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)CC(C2)c1ccccc1)OCCOc1ccccc1

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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 C31H28N2O6 MW 524.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O6/c1-20-28(31(35)39-16-15-38-25-13-6-3-7-14-25)29(22-11-8-12-24(17-22)33(36)37)30-26(32-20)18-23(19-27(30)34)21-9-4-2-5-10-21/h2-14,17,23,29,32H,15-16,18-19H2,1H3
InChIKey
TULAKEVYRQQOFM-UHFFFAOYSA-N
Synonyms

2phenoxyethyl2methyl4(3nitrophenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
2phenoxyethyl2methyl4(3nitrophenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)OCCOC5=CC=CC=C5
InChI=1SC31H28N2O6c12028(31(35)3916153825136371425)29(221181224(1722)33(36)37)3026(3220)1823(1927(30)34)2194251021h21417232932H15161819H21H3
MFCD02632917
O=C(C1=C(C)NC2=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)CC(C2)c1ccccc1)OCCOc1ccccc1
STK089753
ZINC000002735276
ZINC000002735279
ZINC02735276

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Available files

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