Vitas-M small molecule compound

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

Catalog ID
STK363582
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C

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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 C27H28ClNO4 MW 465.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClNO4/c1-16-23(26(31)33-15-17-5-11-20(32-4)12-6-17)24(18-7-9-19(28)10-8-18)25-21(29-16)13-27(2,3)14-22(25)30/h5-12,24,29H,13-15H2,1-4H3
InChIKey
WMCWEIZXPFARRB-UHFFFAOYSA-N
Synonyms

(4methoxyphenyl)methyl4(4chlorophenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl4(4chlorophenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)Cl)C(=O)OCC4=CC=C(C=C4)OC
InChI=1SC27H28ClNO4c11623(26(31)33151751120(324)12617)24(187919(28)10818)2521(2916)1327(23)1422(25)30h5122429H1315H214H3
MFCD01445661
ZINC000000666810
ZINC000000666815

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Available files

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