Vitas-M small molecule compound
1-(ethylsulfonyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}phenyl)piperazine
Catalog ID
STK083152
SMILES CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(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 C23H27F3N6O6S MW 572.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27F3N6O6S/c1-2-39(37,38)30-13-11-27(12-14-30)18-4-6-20(31(33)34)21(16-18)29-9-7-28(8-10-29)19-5-3-17(23(24,25)26)15-22(19)32(35)36/h3-6,15-16H,2,7-14H2,1H3InChIKey
VDGXIALVGIJLQI-UHFFFAOYSA-NSynonyms
1(ETHYLSULFONYL)4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
1ETHYLSULFONYL4(4NITRO3(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PHENYL)PIPERAZINE
CCS(=O)(=O)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
CCS(=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=1SC23H27F3N6O6Sc1239(3738)30131127(121430)184620(31(33)34)21(1618)299728(81029)195317(23(2425)26)1522(19)32(35)36h361516H2714H21H3
MFCD03227220
STK083152
ZINC000100136197
ZINC100136197
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