Vitas-M small molecule compound

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

Catalog ID
STK372611
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCC)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 C26H35NO6 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO6/c1-7-31-11-12-33-25(29)22-16(3)27-18-14-26(4,5)15-19(28)24(18)23(22)17-9-10-20(32-8-2)21(13-17)30-6/h9-10,13,23,27H,7-8,11-12,14-15H2,1-6H3
InChIKey
KOFSTZIMIVABAE-UHFFFAOYSA-N
Synonyms

2ethoxyethyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(4ethoxy3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC)OC)C(=O)CC(C2)(C)C)C
InChI=1SC26H35NO6c173111123325(29)2216(3)27181426(45)1519(28)24(18)23(22)1791020(3282)21(1317)306h910132327H7811121415H216H3
MFCD00753283
ZINC000002055387
ZINC000002055388

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Available files

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