Vitas-M small molecule compound

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

Catalog ID
STK157725
SMILES Clc1ccc(cc1)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 C18H14ClF3N4O5 MW 458.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClF3N4O5/c19-13-3-1-11(2-4-13)17(27)24-7-5-23(6-8-24)16-14(25(28)29)9-12(18(20,21)22)10-15(16)26(30)31/h1-4,9-10H,5-8H2
InChIKey
KZAPBMKHPNTFAC-UHFFFAOYSA-N
Synonyms
591736-02-6
(4CHLOROPHENYL)(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
1((4CHLOROPHENYL)CARBONYL)4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
591736026
C1CN(CCN1C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(=O)C3=CC=C(C=C3)Cl
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC18H14ClF3N4O5c19133111(2413)17(27)247523(6824)1614(25(28)29)912(18(2021)22)1015(16)26(30)31h14910H58H2
MFCD03692746
ZINC000009015979
ZINC09015979
ZINC9015979

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.