Vitas-M small molecule compound
1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}pentan-1-one
Catalog ID
STL378391
SMILES CCCCC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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/c1-2-3-4-15(23)21-9-7-20(8-10-21)13-6-5-12(16(17,18)19)11-14(13)22(24)25/h5-6,11H,2-4,7-10H2,1H3InChIKey
YOJGTBFFMQKMOP-UHFFFAOYSA-NSynonyms
1(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)pentan1one
CCCCC(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
CCCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O)
InChI=1SC16H20F3N3O3c123415(23)219720(81021)136512(16(1718)19)1114(13)22(24)25h5611H24710H21H3
MFCD02636722
ZINC000005092360
ZINC05092360
ZINC5092360
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