Vitas-M small molecule compound
2-(2,4-dimethylphenoxy)-1-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone
Catalog ID
STK164050
SMILES Cc1ccc(c(c1)C)OCC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
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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 C21H22F3N3O4 MW 437.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N3O4/c1-14-3-6-19(15(2)11-14)31-13-20(28)26-9-7-25(8-10-26)17-5-4-16(21(22,23)24)12-18(17)27(29)30/h3-6,11-12H,7-10,13H2,1-2H3InChIKey
KNUVIOBZFZLTGI-UHFFFAOYSA-NSynonyms
2(24DIMETHYLPHENOXY)1(4(2NITRO4(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ETHANONE
CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))C
Cc1ccc(c(c1)C)OCC(=O)N1CCN(CC1)c1ccc(cc1(N+)(=O)(O))C(F)(F)F
InChI=1SC21H22F3N3O4c1143619(15(2)1114)311320(28)269725(81026)175416(21(2223)24)1218(17)27(29)30h361112H71013H212H3
MFCD03307070
ZINC000009846251
ZINC09846251
ZINC9846251
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