Vitas-M small molecule compound
{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(3,4-difluorophenyl)methanone
Catalog ID
STK768157
SMILES [O-][N+](=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1ccc(c(c1)F)F)N1CCCCCC1
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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 C23H25F3N4O3 MW 462.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25F3N4O3/c24-17-6-5-16(13-18(17)25)23(31)29-11-9-28(10-12-29)21-15-20(19(26)14-22(21)30(32)33)27-7-3-1-2-4-8-27/h5-6,13-15H,1-4,7-12H2InChIKey
IPSDHRPCEURIFD-UHFFFAOYSA-NSynonyms
(4(5(azepan1yl)4fluoro2nitrophenyl)piperazin1yl)(34difluorophenyl)methanone
(O)(N+)(=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1ccc(c(c1)F)F)N1CCCCCC1
4(5AZAPERHYDROEPINYL4FLUORO2NITROPHENYL)PIPERAZINYL34DIFLUOROPHENYLKETONE
C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)F)F)(N+)(=O)(O))F
InChI=1SC23H25F3N4O3c24176516(1318(17)25)23(31)2911928(101229)211520(19(26)1422(21)30(32)33)2773124827h561315H14712H2
MFCD03139795
ZINC000008857526
ZINC08857526
ZINC8857526
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