Vitas-M small molecule compound

methyl N-{[4-(2,5-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-beta-alaninate

Catalog ID
STK658083
SMILES COC(=O)CCNC(=O)N1CCc2c(C1c1cc(F)ccc1F)nc[nH]2

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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 C17H18F2N4O3 MW 364.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F2N4O3/c1-26-14(24)4-6-20-17(25)23-7-5-13-15(22-9-21-13)16(23)11-8-10(18)2-3-12(11)19/h2-3,8-9,16H,4-7H2,1H3,(H,20,25)(H,21,22)
InChIKey
AGZOKHPEBQCMNA-UHFFFAOYSA-N
Synonyms
1040704-39-9
1040704399
COC(=O)CCNC(=O)N1CCC2=C(C1C3=C(C=CC(=C3)F)F)N=CN2
COC(=O)CCNC(=O)N1CCc2c(C1c1cc(F)ccc1F)(nH)cn2
COC(=O)CCNC(=O)N1CCc2c(C1c1cc(F)ccc1F)nc(nH)2
InChI=1SC17H18F2N4O3c12614(24)462017(25)23751315(2292113)16(23)11810(18)2312(11)19h238916H47H21H3(H2025)(H2122)
methyl3((4(25difluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)propanoate
methyl3(4(25difluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)propanoate
methylN((4(25difluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)betaalaninate
MFCD18168250
ZINC000031811945
ZINC000031811951

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Available files

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