Vitas-M small molecule compound

(2-chloro-4,5-difluorophenyl){4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone

Catalog ID
STK150228
SMILES Clc1cc(F)c(cc1C(=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])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 C18H12ClF5N4O5 MW 494.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF5N4O5/c19-11-8-13(21)12(20)7-10(11)17(29)26-3-1-25(2-4-26)16-14(27(30)31)5-9(18(22,23)24)6-15(16)28(32)33/h5-8H,1-4H2
InChIKey
UBBWEEYHBKBEDS-UHFFFAOYSA-N
Synonyms

(2CHLORO45DIFLUOROPHENYL)(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
C1CN(CCN1C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C(=O)C3=CC(=C(C=C3Cl)F)F
Clc1cc(F)c(cc1C(=O)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))F
InChI=1SC18H12ClF5N4O5c1911813(21)12(20)710(11)17(29)263125(2426)1614(27(30)31)59(18(2223)24)615(16)28(32)33h58H14H2
MFCD03167105
ZINC000009720432
ZINC09720432
ZINC9720432

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Available files

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