Vitas-M small molecule compound

{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(3-fluorophenyl)methanone

Catalog ID
STK150351
SMILES Fc1cccc(c1)C(=O)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 C18H14F4N4O5 MW 442.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F4N4O5/c19-13-3-1-2-11(8-13)17(27)24-6-4-23(5-7-24)16-14(25(28)29)9-12(18(20,21)22)10-15(16)26(30)31/h1-3,8-10H,4-7H2
InChIKey
OVZSYUBKZHACCO-UHFFFAOYSA-N
Synonyms

(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)(3FLUOROPHENYL)METHANONE
C1CN(CCN1C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(=O)C3=CC(=CC=C3)F
Fc1cccc(c1)C(=O)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC18H14F4N4O5c191331211(813)17(27)246423(5724)1614(25(28)29)912(18(2021)22)1015(16)26(30)31h13810H47H2
MFCD03306396
ZINC000009721002
ZINC09721002
ZINC9721002

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Available files

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