Vitas-M small molecule compound

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

Catalog ID
STK080677
SMILES CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)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 C24H31NO5 MW 413.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO5/c1-6-29-10-11-30-23(27)20-15(2)25-18-13-24(3,4)14-19(26)22(18)21(20)16-8-7-9-17(12-16)28-5/h7-9,12,21,25H,6,10-11,13-14H2,1-5H3
InChIKey
ZBBGTHLZTQZNQY-UHFFFAOYSA-N
Synonyms

2ethoxyethyl4(3methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
2ethoxyethyl4(3methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOCCOC(=O)C1=C(C)NC2=C(C1c1cccc(c1)OC)C(=O)CC(C2)(C)C
CCOCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO5c162910113023(27)2015(2)25181324(34)1419(26)22(18)21(20)1687917(1216)285h79122125H610111314H215H3
MFCD00752943
STK080677
ZINC000002069382
ZINC000002069383

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Available files

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