Vitas-M small molecule compound

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

Catalog ID
STK371928
SMILES CCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC

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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 C21H25NO4 MW 355.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO4/c1-4-12-26-17-11-6-5-8-14(17)19-18(21(24)25-3)13(2)22-15-9-7-10-16(23)20(15)19/h5-6,8,11,19,22H,4,7,9-10,12H2,1-3H3
InChIKey
KJOYYSABLGJKAE-UHFFFAOYSA-N
Synonyms

CCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OC)C
InChI=1SC21H25NO4c141226171165814(17)1918(21(24)253)13(2)2215971016(23)20(15)19h568111922H4791012H213H3
methyl2methyl5oxo4(2propoxyphenyl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo4(2propoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD00619622
ZINC000003901588
ZINC000003901589

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Available files

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