Vitas-M small molecule compound

4-(3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2,5-dioxopyrrolidin-1-yl)benzoic acid

Catalog ID
STK142610
SMILES OC(=O)c1ccc(cc1)N1C(=O)CC(C1=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 C22H19F3N4O6 MW 492.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19F3N4O6/c23-22(24,25)14-3-6-16(17(11-14)29(34)35)26-7-9-27(10-8-26)18-12-19(30)28(20(18)31)15-4-1-13(2-5-15)21(32)33/h1-6,11,18H,7-10,12H2,(H,32,33)
InChIKey
XOAWLYDXCTYXSQ-UHFFFAOYSA-N
Synonyms
522637-72-5
4(3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1IUM1YL)25DIOXOPYRROLIDIN1YL)BENZOATE
4(3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)25DIOXOPYRROLIDIN1YL)BENZOICACID
522637725
C1CN(CC(NH+)1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)(O))C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC22H19F3N4O6c2322(2425)143616(17(1114)29(34)35)267927(10826)181219(30)28(20(18)31)154113(2515)21(32)33h161118H71012H2(H3233)
OC(=O)c1ccc(cc1)N1C(=O)CC(C1=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F

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Available files

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