Vitas-M small molecule compound

2-phenylethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK376779
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1Cl)C(=O)CCC2)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 C25H24ClNO3 MW 421.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClNO3/c1-16-22(25(29)30-15-14-17-8-3-2-4-9-17)23(18-10-5-6-11-19(18)26)24-20(27-16)12-7-13-21(24)28/h2-6,8-11,23,27H,7,12-15H2,1H3
InChIKey
GBBVCPILLPQFFX-UHFFFAOYSA-N
Synonyms
313244-82-5
2phenylethyl4(2chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl4(2chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
313244825
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3Cl)C(=O)OCCC4=CC=CC=C4
InChI=1SC25H24ClNO3c11622(25(29)301514178324917)23(1810561119(18)26)2420(2716)1271321(24)28h268112327H71215H21H3
MFCD01367256
ZINC000019827810
ZINC000019827813

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Available files

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