Vitas-M small molecule compound
3-methyl-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}butan-1-one
Catalog ID
STK347315
SMILES CC(CC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
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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 C16H20F3N3O3 MW 359.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20F3N3O3/c1-11(2)9-15(23)21-7-5-20(6-8-21)13-4-3-12(16(17,18)19)10-14(13)22(24)25/h3-4,10-11H,5-9H2,1-2H3InChIKey
FGQMWCDSUZBUHM-UHFFFAOYSA-NSynonyms
3methyl1(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)butan1one
CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
CC(CC(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)C
InChI=1SC16H20F3N3O3c111(2)915(23)217520(6821)134312(16(1718)19)1014(13)22(24)25h341011H59H212H3
MFCD06632299
ZINC000004821106
ZINC04821106
ZINC4821106
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