Vitas-M small molecule compound

{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(2,3,5,6-tetrafluoro-4-methoxyphenyl)methanone

Catalog ID
STK346259
SMILES COc1c(F)c(F)c(c(c1F)F)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 C19H14F7N3O4 MW 481.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14F7N3O4/c1-33-17-15(22)13(20)12(14(21)16(17)23)18(30)28-6-4-27(5-7-28)10-3-2-9(19(24,25)26)8-11(10)29(31)32/h2-3,8H,4-7H2,1H3
InChIKey
NEDBFQCYYAPNAF-UHFFFAOYSA-N
Synonyms

(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)(2356tetrafluoro4methoxyphenyl)methanone
COC1=C(C(=C(C(=C1F)F)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))F)F
COc1c(F)c(F)c(c(c1F)F)C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC19H14F7N3O4c1331715(22)13(20)12(14(21)16(17)23)18(30)286427(5728)10329(19(2425)26)811(10)29(31)32h238H47H21H3
MFCD06629990
ZINC000012858663
ZINC12858663

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Available files

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