Vitas-M small molecule compound
(5-bromo-2-methoxy-3-methylphenyl){4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Catalog ID
STK346386
SMILES COc1c(C)cc(cc1C(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)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 C20H19BrF3N3O4 MW 502.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrF3N3O4/c1-12-9-14(21)11-15(18(12)31-2)19(28)26-7-5-25(6-8-26)16-4-3-13(20(22,23)24)10-17(16)27(29)30/h3-4,9-11H,5-8H2,1-2H3InChIKey
YPIPJEJRZZQVBV-UHFFFAOYSA-NSynonyms
(5bromo2methoxy3methylphenyl)(4(2nitro4(trifluoromethyl)phenyl)piperazin1yl)methanone
CC1=C(C(=CC(=C1)Br)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))OC
COc1c(C)cc(cc1C(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F)Br
InChI=1SC20H19BrF3N3O4c112914(21)1115(18(12)312)19(28)267525(6826)164313(20(2223)24)1017(16)27(29)30h34911H58H212H3
MFCD05797870
ZINC000012858916
ZINC12858916
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