Vitas-M small molecule compound

(3-iodophenyl){4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}methanone

Catalog ID
STK355369
SMILES Ic1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[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 C22H25IN4O3 MW 520.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25IN4O3/c23-18-6-4-5-17(15-18)22(28)26-13-11-24(12-14-26)19-7-8-20(27(29)30)21(16-19)25-9-2-1-3-10-25/h4-8,15-16H,1-3,9-14H2
InChIKey
YESMHDZROHXDNH-UHFFFAOYSA-N
Synonyms

(3iodophenyl)(4(4nitro3(piperidin1yl)phenyl)piperazin1yl)methanone
(3IODOPHENYL)(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)METHANONE
C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)I)(N+)(=O)(O)
Ic1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
InChI=1SC22H25IN4O3c231864517(1518)22(28)26131124(121426)197820(27(29)30)21(1619)2592131025h481516H13914H2
MFCD05829487
ZINC000016393509
ZINC16393509

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.