Vitas-M small molecule compound
pentyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363512
SMILES CCCCCOC(=O)C1=C(C)NC2=C(C1c1ccccc1OCC)C(=O)CCC2
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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/c1-4-6-9-15-29-24(27)21-16(3)25-18-12-10-13-19(26)23(18)22(21)17-11-7-8-14-20(17)28-5-2/h7-8,11,14,22,25H,4-6,9-10,12-13,15H2,1-3H3InChIKey
PYOCKBFYIRMNOE-UHFFFAOYSA-NSynonyms
CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3OCC)C(=O)CCC2)C
InChI=1SC24H31NO4c1469152924(27)2116(3)251812101319(26)23(18)22(21)1711781420(17)2852h7811142225H46910121315H213H3
MFCD00753058
pentyl4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
pentyl4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002895669
ZINC000002895670
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