Vitas-M small molecule compound
methyl N-{[4-(5-chloro-2-fluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-beta-alaninate
Catalog ID
STK655470
SMILES COC(=O)CCNC(=O)N1CCc2c(C1c1cc(Cl)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 C17H18ClFN4O3 MW 380.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18ClFN4O3/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
PETVMTYVSFDUMU-UHFFFAOYSA-NSynonyms
1040709-06-51040709065
COC(=O)CCNC(=O)N1CCC2=C(C1C3=C(C=CC(=C3)Cl)F)N=CN2
COC(=O)CCNC(=O)N1CCc2c(C1c1cc(Cl)ccc1F)(nH)cn2
COC(=O)CCNC(=O)N1CCc2c(C1c1cc(Cl)ccc1F)nc(nH)2
InChI=1SC17H18ClFN4O3c12614(24)462017(25)23751315(2292113)16(23)11810(18)2312(11)19h238916H47H21H3(H2025)(H2122)
methyl3((4(5chloro2fluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)propanoate
methyl3(4(5chloro2fluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)propanoate
methylN((4(5chloro2fluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)betaalaninate
MFCD18167367
ZINC000031807260
ZINC000031807268
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