Vitas-M small molecule compound

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

Catalog ID
STK402317
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-5-20-11-13-21(14-12-20)26-25(28(32)34-16-15-33-22-9-7-6-8-10-22)19(2)30-23-17-29(3,4)18-24(31)27(23)26/h6-14,26,30H,5,15-18H2,1-4H3
InChIKey
WQWITAFJIDRQQV-UHFFFAOYSA-N
Synonyms

2phenoxyethyl4(4ethylphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(4ethylphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
InChI=1SC29H33NO4c1520111321(141220)2625(28(32)341615332297681022)19(2)30231729(34)1824(31)27(23)26h6142630H51518H214H3
MFCD01191817
ZINC000006197639
ZINC000006197654

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Available files

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