Vitas-M small molecule compound

2,2-dimethyl-1-(4-{4-nitro-3-[(pyridin-3-ylmethyl)amino]phenyl}piperazin-1-yl)propan-1-one

Catalog ID
STK158176
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)[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 C21H27N5O3 MW 397.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N5O3/c1-21(2,3)20(27)25-11-9-24(10-12-25)17-6-7-19(26(28)29)18(13-17)23-15-16-5-4-8-22-14-16/h4-8,13-14,23H,9-12,15H2,1-3H3
InChIKey
FBUXEQPKBPTJBY-UHFFFAOYSA-N
Synonyms
597545-84-1
22DIMETHYL1(4(4NITRO3((PYRIDIN3YLMETHYL)AMINO)PHENYL)PIPERAZIN1YL)PROPAN1ONE
22DIMETHYL1(4(4NITRO3(PYRIDIN3YLMETHYLAMINO)PHENYL)PIPERAZIN1YL)PROPAN1ONE
5(4(22DIMETHYLPROPANOYL)1PIPERAZINYL)2NITRON(3PYRIDINYLMETHYL)ANILINE
597545841
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CN=CC=C3
InChI=1SC21H27N5O3c121(23)20(27)2511924(101225)176719(26(28)29)18(1317)231516548221416h48131423H91215H213H3
MFCD03923690
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NCc1cccnc1)(N+)(=O)(O)
ZINC000004688323
ZINC04688323
ZINC4688323

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Available files

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