Vitas-M small molecule compound
(2E)-3-(3,5-dibromo-2-methoxyphenyl)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STK389833
SMILES COc1c(/C=C/C(=O)N2CCN(CC2)c2ccc(cc2[N+](=O)[O-])C(F)(F)F)cc(cc1Br)Br
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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 C21H18Br2F3N3O4 MW 593.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Br2F3N3O4/c1-33-20-13(10-15(22)12-16(20)23)2-5-19(30)28-8-6-27(7-9-28)17-4-3-14(21(24,25)26)11-18(17)29(31)32/h2-5,10-12H,6-9H2,1H3/b5-2+InChIKey
CJHXHSMDTFRAKZ-GORDUTHDSA-NSynonyms
(2E)3(35dibromo2methoxyphenyl)1(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)prop2en1one
(2E)3(35DIBROMO2METHOXYPHENYL)1(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZINYL)PROP2EN1ONE
(E)3(35DIBROMO2METHOXYPHENYL)1(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROP2EN1ONE
COC1=C(C=C(C=C1C=CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))Br)Br
COc1c(C=CC(=O)N2CCN(CC2)c2ccc(cc2(N+)(=O)(O))C(F)(F)F)cc(cc1Br)Br
InChI=1SC21H18Br2F3N3O4c1332013(1015(22)1216(20)23)2519(30)288627(7928)174314(21(2425)26)1118(17)29(31)32h251012H69H21H3b52+
MFCD02314926
ZINC000004089289
ZINC4089289
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