Vitas-M small molecule compound

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

Catalog ID
STK355543
SMILES O=C(c1ccc(c(c1)C)[N+](=O)[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 C23H27N5O5 MW 453.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O5/c1-17-15-18(5-7-20(17)27(30)31)23(29)26-13-11-24(12-14-26)19-6-8-21(28(32)33)22(16-19)25-9-3-2-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3
InChIKey
AXOBAKKPQCQCGI-UHFFFAOYSA-N
Synonyms

(3methyl4nitrophenyl)(4(4nitro3(piperidin1yl)phenyl)piperazin1yl)methanone
(3METHYL4NITROPHENYL)(4(4NITRO3PIPERIDIN1YLPHENYL)PIPERAZIN1YL)METHANONE
3METHYL4NITROPHENYL4(4NITRO3PIPERIDYLPHENYL)PIPERAZINYLKETONE
CC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCCCC4)(N+)(=O)(O)
InChI=1SC23H27N5O5c1171518(5720(17)27(30)31)23(29)26131124(121426)196821(28(32)33)22(1619)2593241025h581516H24914H21H3
MFCD07628348
O=C(c1ccc(c(c1)C)(N+)(=O)(O))N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)(N+)(=O)(O)
ZINC000004125287
ZINC04125287
ZINC4125287

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Available files

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