Vitas-M small molecule compound

methyl 3-({[4-(4-chloro-2-fluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methoxybenzoate

Catalog ID
STK929878
SMILES COc1ccc(cc1NC(=O)N1CCc2c(C1c1ccc(cc1F)Cl)nc[nH]2)C(=O)OC

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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 C22H20ClFN4O4 MW 458.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN4O4/c1-31-18-6-3-12(21(29)32-2)9-17(18)27-22(30)28-8-7-16-19(26-11-25-16)20(28)14-5-4-13(23)10-15(14)24/h3-6,9-11,20H,7-8H2,1-2H3,(H,25,26)(H,27,30)
InChIKey
PXSNYOAOETWFIF-UHFFFAOYSA-N
Synonyms
1219567-11-9
1219567119
COC1=C(C=C(C=C1)C(=O)OC)NC(=O)N2CCC3=C(C2C4=C(C=C(C=C4)Cl)F)N=CN3
COc1ccc(cc1NC(=O)N1CCc2c(C1c1ccc(cc1F)Cl)(nH)cn2)C(=O)OC
COc1ccc(cc1NC(=O)N1CCc2c(C1c1ccc(cc1F)Cl)nc(nH)2)C(=O)OC
InChI=1SC22H20ClFN4O4c131186312(21(29)322)917(18)2722(30)28871619(26112516)20(28)145413(23)1015(14)24h3691120H78H212H3(H2526)(H2730)
methyl3(((4(4chloro2fluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)amino)4methoxybenzoate
methyl3((4(4chloro2fluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)4methoxybenzoate
methyl3(4(4chloro2fluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)4methoxybenzoate
MFCD18176483
ZINC000040288398
ZINC000040288399

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Available files

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