Vitas-M small molecule compound
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-methylpropan-1-one
Catalog ID
STK157664
SMILES CC(C(=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=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 C15H17F3N4O5 MW 390.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17F3N4O5/c1-9(2)14(23)20-5-3-19(4-6-20)13-11(21(24)25)7-10(15(16,17)18)8-12(13)22(26)27/h7-9H,3-6H2,1-2H3InChIKey
YIVVYSMTJNUZPU-UHFFFAOYSA-NSynonyms
1(4(26DINITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)2METHYLPROPAN1ONE
CC(C(=O)N1CCN(CC1)c1c(cc(cc1(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O))C
CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2(N+)(=O)(O))C(F)(F)F)(N+)(=O)(O)
InChI=1SC15H17F3N4O5c19(2)14(23)205319(4620)1311(21(24)25)710(15(1617)18)812(13)22(26)27h79H36H212H3
MFCD04104716
ZINC000004593349
ZINC04593349
ZINC4593349
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