Vitas-M small molecule compound
{4-[5-(azepan-1-yl)-4-fluoro-2-nitrophenyl]piperazin-1-yl}(2,6-difluorophenyl)methanone
Catalog ID
STK768248
SMILES [O-][N+](=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1c(F)cccc1F)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/c24-16-6-5-7-17(25)22(16)23(31)29-12-10-28(11-13-29)20-15-19(18(26)14-21(20)30(32)33)27-8-3-1-2-4-9-27/h5-7,14-15H,1-4,8-13H2InChIKey
PGNMHVLNSYSKNS-UHFFFAOYSA-NSynonyms
(4(5(azepan1yl)4fluoro2nitrophenyl)piperazin1yl)(26difluorophenyl)methanone
(O)(N+)(=O)c1cc(F)c(cc1N1CCN(CC1)C(=O)c1c(F)cccc1F)N1CCCCCC1
4(5AZAPERHYDROEPINYL4FLUORO2NITROPHENYL)PIPERAZINYL26DIFLUOROPHENYLKETONE
C1CCCN(CC1)C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C4=C(C=CC=C4F)F)(N+)(=O)(O))F
InChI=1SC23H25F3N4O3c241665717(25)22(16)23(31)29121028(111329)201519(18(26)1421(20)30(32)33)2783124927h571415H14813H2
MFCD03133659
ZINC000008856135
ZINC08856135
ZINC8856135
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