Vitas-M small molecule compound
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Catalog ID
STK150400
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[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 C16H19F3N4O5 MW 404.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19F3N4O5/c1-15(2,3)14(24)21-6-4-20(5-7-21)13-11(22(25)26)8-10(16(17,18)19)9-12(13)23(27)28/h8-9H,4-7H2,1-3H3InChIKey
LPWJMKNVHSVAGB-UHFFFAOYSA-NSynonyms
1(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC16H19F3N4O5c115(23)14(24)216420(5721)1311(22(25)26)810(16(1718)19)912(13)23(27)28h89H47H213H3
MFCD03614859
O=C(C(C)(C)C)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
ZINC000004687601
ZINC04687601
ZINC4687601
Check stock
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Check stock on Vitas-MAvailable files
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