Vitas-M small molecule compound
methyl 2-methyl-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK020993
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(C)C)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 C21H25NO3 MW 339.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3/c1-12(2)14-8-10-15(11-9-14)19-18(21(24)25-4)13(3)22-16-6-5-7-17(23)20(16)19/h8-12,19,22H,5-7H2,1-4H3InChIKey
YEARWLCUQCSXBV-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)CCC2
InChI=1SC21H25NO3c112(2)1481015(11914)1918(21(24)254)13(3)221665717(23)20(16)19h8121922H57H214H3
methyl2methyl5oxo4(4(propan2yl)phenyl)145678hexahydroquinoline3carboxylate
methyl2methyl5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinoline3carboxylate
MFCD02188078
STK020993
ZINC000019772397
ZINC000019772399
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