Vitas-M small molecule compound

propan-2-yl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363218
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OC(=O)C)C(=O)CCC2)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 C22H25NO5 MW 383.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO5/c1-12(2)27-22(26)19-13(3)23-17-6-5-7-18(25)21(17)20(19)15-8-10-16(11-9-15)28-14(4)24/h8-12,20,23H,5-7H2,1-4H3
InChIKey
ZWCDAGKPFNVXHP-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC(=O)C)C(=O)OC(C)C
InChI=1SC22H25NO5c112(2)2722(26)1913(3)231765718(25)21(17)20(19)1581016(11915)2814(4)24h8122023H57H214H3
MFCD00752934
propan2yl4(4(acetyloxy)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(4acetyloxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000000626655
ZINC000000626658

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Available files

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