Vitas-M small molecule compound

1-benzofuran-2-yl(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)methanone

Catalog ID
STK198650
SMILES [O-][N+](=O)c1ccc(cc1NCCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2

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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 C27H26N4O4 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4/c32-27(26-18-21-8-4-5-9-25(21)35-26)30-16-14-29(15-17-30)22-10-11-24(31(33)34)23(19-22)28-13-12-20-6-2-1-3-7-20/h1-11,18-19,28H,12-17H2
InChIKey
LYUFILCXPVPOLF-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1ccc(cc1NCCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2
1BENZOFURAN2YL(4(4NITRO3((2PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
1benzofuran2yl(4(4nitro3(2phenylethylamino)phenyl)piperazin1yl)methanone
1BENZOFURAN2YL(4(4NITRO3(PHENETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
C1CN(CCN1C2=CC(=C(C=C2)(N+)(=O)(O))NCCC3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5O4
InChI=1SC27H26N4O4c3227(261821845925(21)3526)30161429(151730)22101124(31(33)34)23(1922)281312206213720h111181928H1217H2
MFCD05826419
ZINC000009934612
ZINC09934612
ZINC9934612

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Available files

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