Vitas-M small molecule compound

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

Catalog ID
STK148898
SMILES COc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-34-23-9-5-8-21(18-23)26(31)29-16-14-28(15-17-29)22-10-11-25(30(32)33)24(19-22)27-13-12-20-6-3-2-4-7-20/h2-11,18-19,27H,12-17H2,1H3
InChIKey
YPKZQLKQNLHBQT-UHFFFAOYSA-N
Synonyms

(3METHOXYPHENYL)(4(4NITRO3((2PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(3methoxyphenyl)(4(4nitro3(2phenylethylamino)phenyl)piperazin1yl)methanone
(3METHOXYPHENYL)(4(4NITRO3(PHENETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCCC4=CC=CC=C4
COc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)(N+)(=O)(O)
InChI=1SC26H28N4O4c1342395821(1823)26(31)29161428(151729)22101125(30(32)33)24(1922)271312206324720h211181927H1217H21H3
MFCD02631961
ZINC000009601744
ZINC09601744
ZINC9601744

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Available files

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