Vitas-M small molecule compound

N-{[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide

Catalog ID
STL567939
SMILES O=C(CCC1NC(=O)c2c(N=C1O)cccc2)NCc1onc(n1)c1c(F)cccc1Cl

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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 C21H17ClFN5O4 MW 457.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFN5O4/c22-12-5-3-6-13(23)18(12)19-27-17(32-28-19)10-24-16(29)9-8-15-21(31)25-14-7-2-1-4-11(14)20(30)26-15/h1-7,15H,8-10H2,(H,24,29)(H,25,31)(H,26,30)
InChIKey
OOZBEJBEMUJPSS-UHFFFAOYSA-N
Synonyms

132286201
InChI=1SC21H17ClFN5O4c221253613(23)18(12)192717(322819)102416(29)981521(31)2514721411(14)20(30)2615h1715H810H2(H2429)(H2531)(H2630)
MFCD32653096
N((3(2chloro6fluorophenyl)124oxadiazol5yl)methyl)3(25dioxo34dihydro1H14benzodiazepin3yl)propanamide
N((3(2chloro6fluorophenyl)124oxadiazol5yl)methyl)3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanamide
ZINC000524735629
ZINC000886025635

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Available files

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