Vitas-M small molecule compound
(2,3-difluorophenyl)(4-{4-fluoro-2-nitro-5-[(tetrahydrofuran-2-ylmethyl)amino]phenyl}piperazin-1-yl)methanone
Catalog ID
STK780376
SMILES [O-][N+](=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1cccc(c1F)F)NCC1CCCO1
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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 C22H23F3N4O4 MW 464.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23F3N4O4/c23-16-5-1-4-15(21(16)25)22(30)28-8-6-27(7-9-28)19-12-18(17(24)11-20(19)29(31)32)26-13-14-3-2-10-33-14/h1,4-5,11-12,14,26H,2-3,6-10,13H2InChIKey
AOTPODHRLWUJFO-UHFFFAOYSA-NSynonyms
(23difluorophenyl)(4(4fluoro2nitro5((tetrahydrofuran2ylmethyl)amino)phenyl)piperazin1yl)methanone
(23DIFLUOROPHENYL)(4(4FLUORO2NITRO5(OXOLAN2YLMETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
(O)(N+)(=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1cccc(c1F)F)NCC1CCCO1
C1CC(OC1)CNC2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=C(C(=CC=C4)F)F)(N+)(=O)(O))F
InChI=1SC22H23F3N4O4c231651415(21(16)25)22(30)288627(7928)191218(17(24)1120(19)29(31)32)26131432103314h14511121426H2361013H2
MFCD05860330
ZINC000012428420
ZINC000012428421
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