Vitas-M small molecule compound

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

Catalog ID
STK402289
SMILES Oc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1

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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 C24H23NO4 MW 389.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23NO4/c1-15-21(24(28)29-14-16-7-3-2-4-8-16)22(17-9-5-10-18(26)13-17)23-19(25-15)11-6-12-20(23)27/h2-5,7-10,13,22,25-26H,6,11-12,14H2,1H3
InChIKey
FYOSIYUKIQBEDK-UHFFFAOYSA-N
Synonyms
299949-19-2
299949192
benzyl4(3hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)O)C(=O)OCC4=CC=CC=C4
InChI=1SC24H23NO4c11521(24(28)2914167324816)22(17951018(26)1317)2319(2515)1161220(23)27h2571013222526H6111214H21H3
MFCD00753394
ZINC000002455556
ZINC000095483553

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Available files

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