Vitas-M small molecule compound
(2E)-1-(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)-3-phenylprop-2-en-1-one
Catalog ID
STK148856
SMILES CC(c1ccccc1)Nc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)/C=C/c1ccccc1
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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 C27H28N4O3 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3/c1-21(23-10-6-3-7-11-23)28-25-20-24(13-14-26(25)31(33)34)29-16-18-30(19-17-29)27(32)15-12-22-8-4-2-5-9-22/h2-15,20-21,28H,16-19H2,1H3/b15-12+InChIKey
CEDJMTVBQWNIDR-NTCAYCPXSA-NSynonyms
(2E)1(4(4NITRO3((1PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)3PHENYLPROP2EN1ONE
(E)1(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)3PHENYLPROP2EN1ONE
CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C=CC4=CC=CC=C4)(N+)(=O)(O)
CC(c1ccccc1)Nc1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)C=Cc1ccccc1
InChI=1SC27H28N4O3c121(23106371123)28252024(131426(25)31(33)34)29161830(191729)27(32)1512228425922h215202128H1619H21H3b1512+
MFCD02629932
ZINC000009601736
ZINC000009601737
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