Vitas-M small molecule compound

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

Catalog ID
STK147690
SMILES [O-][N+](=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1ccccc1

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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 C27H27F3N6O6S MW 620.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27F3N6O6S/c28-27(29,30)20-6-8-23(26(18-20)36(39)40)32-10-12-33(13-11-32)25-19-21(7-9-24(25)35(37)38)31-14-16-34(17-15-31)43(41,42)22-4-2-1-3-5-22/h1-9,18-19H,10-17H2
InChIKey
WLZBIGLNDBDBCV-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)N1CCN(CC1)S(=O)(=O)c1ccccc1
1(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)4(PHENYLSULFONYL)PIPERAZINE
1(BENZENESULFONYL)4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O))S(=O)(=O)C5=CC=CC=C5
InChI=1SC27H27F3N6O6Sc2827(2930)206823(26(1820)36(39)40)32101233(131132)251921(7924(25)35(37)38)31141634(171531)43(4142)224213522h191819H1017H2
MFCD02632008
ZINC000100128417
ZINC100128417

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Available files

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