Vitas-M small molecule compound

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

Catalog ID
STK650720
SMILES COC(=O)c1cccc(c1)NC(=O)N1CCc2c(C1c1ccc(c(c1F)F)F)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 C21H17F3N4O3 MW 430.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O3/c1-31-20(29)11-3-2-4-12(9-11)27-21(30)28-8-7-15-18(26-10-25-15)19(28)13-5-6-14(22)17(24)16(13)23/h2-6,9-10,19H,7-8H2,1H3,(H,25,26)(H,27,30)
InChIKey
MZDWBUSPGVBIRB-UHFFFAOYSA-N
Synonyms
1081132-97-9
1081132979
COC(=O)C1=CC(=CC=C1)NC(=O)N2CCC3=C(C2C4=C(C(=C(C=C4)F)F)F)N=CN3
COC(=O)c1cccc(c1)NC(=O)N1CCc2c(C1c1ccc(c(c1F)F)F)(nH)cn2
COC(=O)c1cccc(c1)NC(=O)N1CCc2c(C1c1ccc(c(c1F)F)F)nc(nH)2
InChI=1SC21H17F3N4O3c13120(29)1132412(911)2721(30)28871518(26102515)19(28)135614(22)17(24)16(13)23h2691019H78H21H3(H2526)(H2730)
methyl3(((4(234trifluorophenyl)1467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)amino)benzoate
methyl3((4(234trifluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)benzoate
methyl3(4(234trifluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)benzoate
MFCD18165716
ZINC000020717140
ZINC000020717144

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Available files

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