Vitas-M small molecule compound

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

Catalog ID
STK085406
SMILES COc1cc(cc(c1OC)OC)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 C21H22F3N3O6 MW 469.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O6/c1-31-17-10-13(11-18(32-2)19(17)33-3)20(28)26-8-6-25(7-9-26)15-5-4-14(21(22,23)24)12-16(15)27(29)30/h4-5,10-12H,6-9H2,1-3H3
InChIKey
DLEITYYBDRSPQA-UHFFFAOYSA-N
Synonyms

(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)(345TRIMETHOXYPHENYL)METHANONE
4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL345TRIMETHOXYPHENYLKETONE
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
COc1cc(cc(c1OC)OC)C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC21H22F3N3O6c131171013(1118(322)19(17)333)20(28)268625(7926)155414(21(2223)24)1216(15)27(29)30h451012H69H213H3
MFCD02221114
STK085406
ZINC000008926967
ZINC08926967
ZINC8926967

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Available files

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