Vitas-M small molecule compound

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

Catalog ID
STK092242
SMILES Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)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 C31H28ClNO4 MW 514.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClNO4/c1-19-28(31(36)37-16-15-20-5-3-2-4-6-20)29(22-9-13-25(34)14-10-22)30-26(33-19)17-23(18-27(30)35)21-7-11-24(32)12-8-21/h2-14,23,29,33-34H,15-18H2,1H3
InChIKey
COJIYHDJZSNXQY-UHFFFAOYSA-N
Synonyms

2phenylethyl7(4chlorophenyl)4(4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H28ClNO4c11928(31(36)371615205324620)29(2291325(34)141022)3026(3319)1723(1827(30)35)2171124(32)12821h21423293334H1518H21H3
MFCD01823979
Oc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
STK092242
ZINC000001203969
ZINC000001203982
ZINC01203982

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Available files

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