Vitas-M small molecule compound
1-[4-nitro-3-(pyrrolidin-1-yl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Catalog ID
STK091227
SMILES [O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccc(c(c1)N1CCCC1)[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 C21H22F3N5O4 MW 465.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N5O4/c22-21(23,24)15-3-5-17(20(13-15)29(32)33)27-11-9-25(10-12-27)16-4-6-18(28(30)31)19(14-16)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12H2InChIKey
KHGQYABSLLCWMW-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc(ccc1N1CCN(CC1)c1ccc(c(c1)N1CCCC1)(N+)(=O)(O))C(F)(F)F
1(4NITRO3(PYRROLIDIN1YL)PHENYL)4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
1(4NITRO3PYRROLIDIN1YLPHENYL)4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
4(4NITRO3PYRROLIDINYLPHENYL)1(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H22F3N5O4c2221(2324)153517(20(1315)29(32)33)2711925(101227)164618(28(30)31)19(1416)26712826h361314H12712H2
MFCD01446597
STK091227
ZINC000009008910
ZINC09008910
ZINC9008910
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