Vitas-M small molecule compound

1-(methylsulfonyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazine

Catalog ID
STK148976
SMILES [O-][N+](=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N1CCN(CC1)S(=O)(=O)C

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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 C22H25F3N6O6S MW 558.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25F3N6O6S/c1-38(36,37)29-12-10-26(11-13-29)17-3-5-19(30(32)33)20(15-17)28-8-6-27(7-9-28)18-4-2-16(22(23,24)25)14-21(18)31(34)35/h2-5,14-15H,6-13H2,1H3
InChIKey
QOKQNNVLNNUIDM-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)N1CCN(CC1)S(=O)(=O)C
1(METHYLSULFONYL)4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
1METHYLSULFONYL4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC22H25F3N6O6Sc138(3637)29121026(111329)173519(30(32)33)20(1517)288627(7928)184216(22(2324)25)1421(18)31(34)35h251415H613H21H3
MFCD02632050
ZINC000100128485
ZINC100128485

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Available files

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