Vitas-M small molecule compound

2-phenoxyethyl 2,7,7-trimethyl-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK375940
SMILES O=C(C1=C(C)NC2=C(C1c1cccnc1)C(=O)CC(C2)(C)C)OCCOc1ccccc1

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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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-17-22(25(30)32-13-12-31-19-9-5-4-6-10-19)23(18-8-7-11-27-16-18)24-20(28-17)14-26(2,3)15-21(24)29/h4-11,16,23,28H,12-15H2,1-3H3
InChIKey
AIHWWFQPAWLMFP-UHFFFAOYSA-N
Synonyms

2phenoxyethyl277trimethyl5oxo4(pyridin3yl)145678hexahydroquinoline3carboxylate
2phenoxyethyl277trimethyl5oxo4pyridin3yl1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CN=CC=C3)C(=O)OCCOC4=CC=CC=C4
InChI=1SC26H28N2O4c11722(25(30)321312311995461019)23(188711271618)2420(2817)1426(23)1521(24)29h411162328H1215H213H3
MFCD01192080
ZINC000019848649
ZINC000019848651

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Available files

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