Vitas-M small molecule compound

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

Catalog ID
STK363671
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCC1

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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 C30H33NO5 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H33NO5/c1-3-35-26-17-20(13-14-24(26)32)28-27(30(34)36-22-11-7-8-12-22)18(2)31-23-15-21(16-25(33)29(23)28)19-9-5-4-6-10-19/h4-6,9-10,13-14,17,21-22,28,31-32H,3,7-8,11-12,15-16H2,1-2H3
InChIKey
ZLGFRQDQXPSRLJ-UHFFFAOYSA-N
Synonyms

CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC5CCCC5)C)O
cyclopentyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclopentyl4(3ethoxy4hydroxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H33NO5c1335261720(131424(26)32)2827(30(34)362211781222)18(2)31231521(1625(33)29(23)28)1995461019h469101314172122283132H37811121516H212H3
MFCD01528062
ZINC000000853717
ZINC000000853720

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Available files

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