Vitas-M small molecule compound

propyl 2-methyl-5-oxo-7-phenyl-4-(2-propoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363700
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCCC)C(=O)CC(C2)c1ccccc1

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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/c1-4-15-33-25-14-10-9-13-22(25)27-26(29(32)34-16-5-2)19(3)30-23-17-21(18-24(31)28(23)27)20-11-7-6-8-12-20/h6-14,21,27,30H,4-5,15-18H2,1-3H3
InChIKey
NSAXGXMHIDMEEE-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OCCC)C
InChI=1SC29H33NO4c14153325141091322(25)2726(29(32)341652)19(3)30231721(1824(31)28(23)27)20117681220h614212730H451518H213H3
MFCD00771344
propyl2methyl5oxo7phenyl4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
propyl2methyl5oxo7phenyl4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
ZINC000004065063
ZINC000004065067

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Available files

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