Vitas-M small molecule compound

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

Catalog ID
STK006023
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOCC

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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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-6-8-13-32-22-12-10-9-11-19(22)24-23(26(30)33-15-14-31-7-2)18(3)28-20-16-27(4,5)17-21(29)25(20)24/h9-12,24,28H,6-8,13-17H2,1-5H3
InChIKey
QCUZJGZPXOHHCN-UHFFFAOYSA-N
Synonyms

2ethoxyethyl4(2butoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(2butoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOCC)C
CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)OCCOCC
InChI=1SC27H37NO5c168133222121091119(22)2423(26(30)3315143172)18(3)28201627(45)1721(29)25(20)24h9122428H681317H215H3
MFCD00753073
STK006023
ZINC000004066095
ZINC000004066096

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Available files

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