Vitas-M small molecule compound
5-nitro-8-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline
Catalog ID
STK086316
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccc(c2c1nccc2)[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 C20H16F3N5O4 MW 447.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3N5O4/c21-20(22,23)13-3-4-16(18(12-13)28(31)32)25-8-10-26(11-9-25)17-6-5-15(27(29)30)14-2-1-7-24-19(14)17/h1-7,12H,8-11H2InChIKey
CGXQOTXBPZKVCT-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)c1ccc(c2c1nccc2)(N+)(=O)(O))C(F)(F)F
5NITRO8(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)QUINOLINE
5NITRO8(4(2NITRO4TRIFLUOROMETHYLPHENYL)PIPERAZIN1YL)QUINOLINE
C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)(N+)(=O)(O))C3=C4C(=C(C=C3)(N+)(=O)(O))C=CC=N4
InChI=1SC20H16F3N5O4c2120(2223)133416(18(1213)28(31)32)2581026(11925)176515(27(29)30)142172419(14)17h1712H811H2
MFCD01172972
STK086316
ZINC000008741403
ZINC08741403
ZINC8741403
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