Vitas-M small molecule compound

propyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK081105
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(CC)CC)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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-7-14-31-25(30)22-17(4)27-20-15-26(5,6)16-21(29)24(20)23(22)18-10-12-19(13-11-18)28(8-2)9-3/h10-13,23,27H,7-9,14-16H2,1-6H3
InChIKey
YSUBIOIMOXDQEK-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)N(CC)CC)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)N(CC)CC)C(=O)CC(C2)(C)C)C
InChI=1SC26H36N2O3c17143125(30)2217(4)27201526(56)1621(29)24(20)23(22)18101219(131118)28(82)93h10132327H791416H216H3
MFCD00770926
propyl4(4(diethylamino)phenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(4(diethylamino)phenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK081105
ZINC000002784332
ZINC000002784333

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Available files

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