Vitas-M small molecule compound
(2E)-3-(2,4-dichlorophenyl)-1-{4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STK150444
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)c1ccc(cc1C(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 C20H16Cl2F3N3O3 MW 474.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2F3N3O3/c21-14-3-1-13(17(22)11-14)2-6-19(29)27-9-7-26(8-10-27)18-5-4-15(28(30)31)12-16(18)20(23,24)25/h1-6,11-12H,7-10H2/b6-2+InChIKey
DVKOMOZUAUDHJO-QHHAFSJGSA-NSynonyms
(2E)3(24DICHLOROPHENYL)1(4(4NITRO2(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROP2EN1ONE
(E)3(24DICHLOROPHENYL)1(4(4NITRO2(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROP2EN1ONE
C1CN(CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(F)(F)F)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)(N+)(=O)(O)
InChI=1SC20H16Cl2F3N3O3c21143113(17(22)1114)2619(29)279726(81027)185415(28(30)31)1216(18)20(2324)25h161112H710H2b62+
MFCD03614886
ZINC000009721010
ZINC09721010
ZINC9721010
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