Vitas-M small molecule compound

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

Catalog ID
STK036843
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)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 C26H29NO3 MW 403.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO3/c1-5-13-30-25(29)22-16(2)27-20-14-26(3,4)15-21(28)24(20)23(22)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,23,27H,5,13-15H2,1-4H3
InChIKey
BXUDIGSAAKDLMT-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1cccc3c1cccc3)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=CC4=CC=CC=C43)C(=O)CC(C2)(C)C)C
InChI=1SC26H29NO3c15133025(29)2216(2)27201426(34)1521(28)24(20)23(22)1912810179671118(17)19h6122327H51315H214H3
MFCD00770927
propyl277trimethyl4(naphthalen1yl)5oxo145678hexahydroquinoline3carboxylate
propyl277trimethyl4naphthalen1yl5oxo1468tetrahydroquinoline3carboxylate
STK036843
ZINC000002063660
ZINC000002063661

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Available files

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