Vitas-M small molecule compound

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

Catalog ID
STK372294
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OC)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/c1-6-7-12-29-23(27)20-15(2)25-17-13-24(3,4)14-18(26)22(17)21(20)16-10-8-9-11-19(16)28-5/h8-11,21,25H,6-7,12-14H2,1-5H3
InChIKey
IMQMIXKSJPTBJV-UHFFFAOYSA-N
Synonyms

butyl4(2methoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(2methoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OC)C(=O)CC(C2)(C)C)C
InChI=1SC24H31NO4c167122923(27)2015(2)25171324(34)1418(26)22(17)21(20)1610891119(16)285h8112125H671214H215H3
MFCD00753402
ZINC000002055499
ZINC000002055500

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Available files

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