Vitas-M small molecule compound
3,5-dinitro-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}benzoic acid
Catalog ID
STK677137
SMILES OC(=O)c1cc(cc(c1N1CCN(CC1)c1cccc(c1)C(F)(F)F)[N+](=O)[O-])[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 C18H15F3N4O6 MW 440.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15F3N4O6/c19-18(20,21)11-2-1-3-12(8-11)22-4-6-23(7-5-22)16-14(17(26)27)9-13(24(28)29)10-15(16)25(30)31/h1-3,8-10H,4-7H2,(H,26,27)InChIKey
QFOCCWHTDQRFNG-UHFFFAOYSA-NSynonyms
35dinitro2(4(3(trifluoromethyl)phenyl)piperazin1yl)benzoicacid
C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3C(=O)O)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H15F3N4O6c1918(2021)1121312(811)224623(7522)1614(17(26)27)913(24(28)29)1015(16)25(30)31h13810H47H2(H2627)
MFCD02932772
OC(=O)c1cc(cc(c1N1CCN(CC1)c1cccc(c1)C(F)(F)F)(N+)(=O)(O))(N+)(=O)(O)
ZINC000008854835
ZINC8854835
Check stock
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Check stock on Vitas-MAvailable files
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