Vitas-M small molecule compound
1-[(4-bromophenyl)sulfonyl]-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
Catalog ID
STK148940
SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[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 C17H14BrF3N4O6S MW 539.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrF3N4O6S/c18-12-1-3-13(4-2-12)32(30,31)23-7-5-22(6-8-23)16-14(24(26)27)9-11(17(19,20)21)10-15(16)25(28)29/h1-4,9-10H,5-8H2InChIKey
PMWVRJJGYBNDHU-UHFFFAOYSA-NSynonyms
1((4BROMOPHENYL)SULFONYL)4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
1(4BROMOPHENYL)SULFONYL4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINE
Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
C1CN(CCN1C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))S(=O)(=O)C3=CC=C(C=C3)Br
InChI=1SC17H14BrF3N4O6Sc18121313(4212)32(3031)237522(6823)1614(24(26)27)911(17(1920)21)1015(16)25(28)29h14910H58H2
MFCD02632010
ZINC000100128425
ZINC100128425
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