Vitas-M small molecule compound
2,2-dimethyl-1-{4-[4-nitro-3-(4-phenylpiperazin-1-yl)phenyl]piperazin-1-yl}propan-1-one
Catalog ID
STK205889
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccccc1)[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 C25H33N5O3 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33N5O3/c1-25(2,3)24(31)29-17-13-27(14-18-29)21-9-10-22(30(32)33)23(19-21)28-15-11-26(12-16-28)20-7-5-4-6-8-20/h4-10,19H,11-18H2,1-3H3InChIKey
YSSOVUMSFWAWOH-UHFFFAOYSA-NSynonyms
22DIMETHYL1(4(4NITRO3(4PHENYLPIPERAZIN1YL)PHENYL)PIPERAZIN1YL)PROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)C4=CC=CC=C4
InChI=1SC25H33N5O3c125(23)24(31)29171327(141829)2191022(30(32)33)23(1921)28151126(121628)207546820h41019H1118H213H3
MFCD05838559
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)c1ccccc1)(N+)(=O)(O)
ZINC000009971683
ZINC09971683
ZINC9971683
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