Vitas-M small molecule compound

1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-methylpropan-1-one

Catalog ID
STK026123
SMILES O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])C(C)C

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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 C21H26N4O3 MW 382.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O3/c1-16(2)21(26)24-12-10-23(11-13-24)18-8-9-20(25(27)28)19(14-18)22-15-17-6-4-3-5-7-17/h3-9,14,16,22H,10-13,15H2,1-2H3
InChIKey
MGSZHYZJLVYDGZ-UHFFFAOYSA-N
Synonyms

1(4(3(BENZYLAMINO)4NITROPHENYL)PIPERAZIN1YL)2METHYLPROPAN1ONE
2METHYL1(4(4NITRO3(BENZYLAMINO)PHENYL)PIPERAZINYL)PROPAN1ONE
CC(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CC=C3
InChI=1SC21H26N4O3c116(2)21(26)24121023(111324)188920(25(27)28)19(1418)2215176435717h39141622H101315H212H3
MFCD03159260
O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)(N+)(=O)(O))C(C)C
STK026123
ZINC000004187881
ZINC04187881
ZINC4187881

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Available files

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