Vitas-M small molecule compound

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

Catalog ID
STL236721
SMILES COC(=O)c1ccc(cc1)NC(=O)N1CCc2c(C1c1cccc(c1)F)[nH]cn2

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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 C21H19FN4O3 MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O3/c1-29-20(27)13-5-7-16(8-6-13)25-21(28)26-10-9-17-18(24-12-23-17)19(26)14-3-2-4-15(22)11-14/h2-8,11-12,19H,9-10H2,1H3,(H,23,24)(H,25,28)
InChIKey
NJWQMSJWTWCLJC-UHFFFAOYSA-N
Synonyms
1040704-86-6
1040704866
COC(=O)C1=CC=C(C=C1)NC(=O)N2CCC3=C(C2C4=CC(=CC=C4)F)N=CN3
COC(=O)c1ccc(cc1)NC(=O)N1CCc2c(C1c1cccc(c1)F)(nH)cn2
InChI=1SC21H19FN4O3c12920(27)135716(8613)2521(28)261091718(24122317)19(26)1432415(22)1114h28111219H910H21H3(H2324)(H2528)
methyl4(((4(3fluorophenyl)3467tetrahydro5Himidazo(45c)pyridin5yl)carbonyl)amino)benzoate
methyl4((4(3fluorophenyl)1467tetrahydroimidazo(45c)pyridine5carbonyl)amino)benzoate
methyl4(4(3fluorophenyl)4567tetrahydro3Himidazo(45c)pyridine5carboxamido)benzoate
MFCD12205871
ZINC000020718582
ZINC000020718586

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Available files

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