Vitas-M small molecule compound
ethyl 4-[2-(benzyloxy)phenyl]-2-ethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK371823
SMILES CCOC(=O)C1=C(CC)NC2=C(C1c1ccccc1OCc1ccccc1)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 C27H29NO4 MW 431.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO4/c1-3-20-26(27(30)31-4-2)24(25-21(28-20)14-10-15-22(25)29)19-13-8-9-16-23(19)32-17-18-11-6-5-7-12-18/h5-9,11-13,16,24,28H,3-4,10,14-15,17H2,1-2H3InChIKey
WJFHFMWEDHXODR-UHFFFAOYSA-NSynonyms
CCC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OCC
ethyl2ethyl5oxo4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
ethyl4(2(benzyloxy)phenyl)2ethyl5oxo145678hexahydroquinoline3carboxylate
InChI=1SC27H29NO4c132026(27(30)3142)24(2521(2820)14101522(25)29)1913891623(19)321718116571218h591113162428H3410141517H212H3
MFCD00619483
ZINC000019314977
ZINC000019314979
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