Vitas-M small molecule compound

(3,5-diethoxyphenyl){4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone

Catalog ID
STK255301
SMILES CCOc1cc(OCC)cc(c1)C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)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 C22H24F3N3O5 MW 467.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24F3N3O5/c1-3-32-17-11-15(12-18(14-17)33-4-2)21(29)27-9-7-26(8-10-27)19-6-5-16(22(23,24)25)13-20(19)28(30)31/h5-6,11-14H,3-4,7-10H2,1-2H3
InChIKey
LYGRAFDQBPMUNS-UHFFFAOYSA-N
Synonyms

(35diethoxyphenyl)(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)methanone
CCOC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))OCC
CCOc1cc(OCC)cc(c1)C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC22H24F3N3O5c1332171115(1218(1417)3342)21(29)279726(81027)196516(22(2324)25)1320(19)28(30)31h561114H34710H212H3
MFCD03991553
ZINC000009355148
ZINC09355148
ZINC9355148

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Available files

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