Vitas-M small molecule compound
1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Catalog ID
STK099524
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[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 C22H28N4O3 MW 396.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O3/c1-22(2,3)21(27)25-13-11-24(12-14-25)18-9-10-20(26(28)29)19(15-18)23-16-17-7-5-4-6-8-17/h4-10,15,23H,11-14,16H2,1-3H3InChIKey
OUPBYZWCXKAFGT-UHFFFAOYSA-NSynonyms
1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
22DIMETHYL1(4(4NITRO3(BENZYLAMINO)PHENYL)PIPERAZINYL)PROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3
InChI=1SC22H28N4O3c122(23)21(27)25131124(121425)1891020(26(28)29)19(1518)2316177546817h4101523H111416H213H3
MFCD03159262
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O)
STK099524
ZINC000004187939
ZINC04187939
ZINC4187939
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