Vitas-M small molecule compound

dimethyl N-{[4-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}-L-glutamate

Catalog ID
STK929192
SMILES COC(=O)[C@@H](NC(=O)N1CCc2c(C1c1ccc(c(c1)Cl)F)nc[nH]2)CCC(=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 C20H22ClFN4O5 MW 452.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22ClFN4O5/c1-30-16(27)6-5-15(19(28)31-2)25-20(29)26-8-7-14-17(24-10-23-14)18(26)11-3-4-13(22)12(21)9-11/h3-4,9-10,15,18H,5-8H2,1-2H3,(H,23,24)(H,25,29)/t15-,18?/m0/s1
InChIKey
MRNJXLYPVVSTHI-BUSXIPJBSA-N
Synonyms
1491144-81-0
(2S)dimethyl2(4(3chloro4fluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)pentanedioate
1491144810
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1ccc(c(c1)Cl)F)(nH)cn2)CCC(=O)OC
COC(=O)(C@@H)(NC(=O)N1CCc2c(C1c1ccc(c(c1)Cl)F)nc(nH)2)CCC(=O)OC
COC(=O)CCC(C(=O)OC)NC(=O)N1CCC2=C(C1C3=CC(=C(C=C3)F)Cl)N=CN2
dimethyl(2S)2((4(3chloro4fluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)pentanedioate
dimethylN((4(3chloro4fluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)Lglutamate
InChI=1SC20H22ClFN4O5c13016(27)6515(19(28)312)2520(29)26871417(24102314)18(26)113413(22)12(21)911h349101518H58H212H3(H2324)(H2529)t1518?m0s1
MFCD18176297
ZINC000044889916
ZINC000044889919

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Available files

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