Vitas-M small molecule compound

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

Catalog ID
STK363674
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)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 C24H31NO4 MW 397.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO4/c1-6-12-29-23(27)20-15(3)25-18-13-24(4,5)14-19(26)22(18)21(20)16-8-10-17(11-9-16)28-7-2/h8-11,21,25H,6-7,12-14H2,1-5H3
InChIKey
HIAKRQQEELZGMZ-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO4c16122923(27)2015(3)25181324(45)1419(26)22(18)21(20)1681017(11916)2872h8112125H671214H215H3
MFCD00770917
propyl4(4ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
ZINC000003098403
ZINC000003098404

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Available files

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