Vitas-M small molecule compound
1-{4-[4-fluoro-5-(2-methylpiperidin-1-yl)-2-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Catalog ID
STK777026
SMILES CC1CCCCN1c1cc(N2CCN(CC2)C(=O)C(C)(C)C)c(cc1F)[N+](=O)[O-]
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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 C21H31FN4O3 MW 406.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31FN4O3/c1-15-7-5-6-8-25(15)17-14-18(19(26(28)29)13-16(17)22)23-9-11-24(12-10-23)20(27)21(2,3)4/h13-15H,5-12H2,1-4H3InChIKey
XORFJDMKAFTESZ-UHFFFAOYSA-NSynonyms
1(4(4fluoro5(2methylpiperidin1yl)2nitrophenyl)piperazin1yl)22dimethylpropan1one
CC1CCCCN1c1cc(N2CCN(CC2)C(=O)C(C)(C)C)c(cc1F)(N+)(=O)(O)
CC1CCCCN1C2=C(C=C(C(=C2)N3CCN(CC3)C(=O)C(C)(C)C)(N+)(=O)(O))F
InChI=1SC21H31FN4O3c115756825(15)171418(19(26(28)29)1316(17)22)2391124(121023)20(27)21(23)4h1315H512H214H3
MFCD05259891
ZINC000004624289
ZINC000004624309
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.