Vitas-M small molecule compound

{4-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl}(phenyl)methanone

Catalog ID
STK206104
SMILES O=C(c1ccccc1)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)[N+](=O)[O-]

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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 C28H31N5O3 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3/c34-28(24-9-5-2-6-10-24)32-19-17-30(18-20-32)25-11-12-26(33(35)36)27(21-25)31-15-13-29(14-16-31)22-23-7-3-1-4-8-23/h1-12,21H,13-20,22H2
InChIKey
NQACVDRNRFFMIG-UHFFFAOYSA-N
Synonyms

(4(3(4BENZYLPIPERAZIN1YL)4NITROPHENYL)PIPERAZIN1YL)(PHENYL)METHANONE
(4(3(4BENZYLPIPERAZIN1YL)4NITROPHENYL)PIPERAZIN1YL)PHENYLMETHANONE
C1CN(CCN1CC2=CC=CC=C2)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5)(N+)(=O)(O)
InChI=1SC28H31N5O3c3428(2495261024)32191730(182032)25111226(33(35)36)27(2125)31151329(141631)22237314823h11221H132022H2
MFCD06635259
O=C(c1ccccc1)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)(N+)(=O)(O)
ZINC000055560063
ZINC55560063

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Available files

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