Vitas-M small molecule compound

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

Catalog ID
STK017398
SMILES CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)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 C30H32ClNO5 MW 522.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32ClNO5/c1-3-36-26-16-19(10-13-24(26)33)28-27(30(35)37-22-6-4-5-7-22)17(2)32-23-14-20(15-25(34)29(23)28)18-8-11-21(31)12-9-18/h8-13,16,20,22,28,32-33H,3-7,14-15H2,1-2H3
InChIKey
KVVRYFBNEFHCHB-UHFFFAOYSA-N
Synonyms
312623-25-9
312623259
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OC5CCCC5)C)O
CCOc1cc(ccc1O)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H32ClNO5c1336261619(101324(26)33)2827(30(35)3722645722)17(2)32231420(1525(34)29(23)28)1881121(31)12918h813162022283233H371415H212H3
MFCD01873723
STK017398
ZINC000008984848
ZINC000008984856

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Available files

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