Vitas-M small molecule compound

(3,4-dichlorophenyl){4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}methanone

Catalog ID
STK157732
SMILES O=C(c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccc(cc1C(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 C18H14Cl2F3N3O3 MW 448.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2F3N3O3/c19-14-3-1-11(9-15(14)20)17(27)25-7-5-24(6-8-25)16-4-2-12(26(28)29)10-13(16)18(21,22)23/h1-4,9-10H,5-8H2
InChIKey
IKYJYKNCHZIGGN-UHFFFAOYSA-N
Synonyms
591736-13-9
(34DICHLOROPHENYL)(4(4NITRO2(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHANONE
591736139
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(F)(F)F)C(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC18H14Cl2F3N3O3c19143111(915(14)20)17(27)257524(6825)164212(26(28)29)1013(16)18(2122)23h14910H58H2
MFCD03996195
O=C(c1ccc(c(c1)Cl)Cl)N1CCN(CC1)c1ccc(cc1C(F)(F)F)(N+)(=O)(O)
ZINC000009313291
ZINC09313291
ZINC9313291

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Available files

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