Vitas-M small molecule compound
1-{4-[3-(4-benzylpiperazin-1-yl)-4-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Catalog ID
STK205960
SMILES O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)[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 C26H35N5O3 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N5O3/c1-26(2,3)25(32)30-17-15-28(16-18-30)22-9-10-23(31(33)34)24(19-22)29-13-11-27(12-14-29)20-21-7-5-4-6-8-21/h4-10,19H,11-18,20H2,1-3H3InChIKey
DSIRTLAWCBJSBG-UHFFFAOYSA-NSynonyms
1(4(3(4BENZYLPIPERAZIN1YL)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
CC(C)(C)C(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC26H35N5O3c126(23)25(32)30171528(161830)2291023(31(33)34)24(1922)29131127(121429)20217546821h41019H111820H213H3
MFCD06167706
O=C(C(C)(C)C)N1CCN(CC1)c1ccc(c(c1)N1CCN(CC1)Cc1ccccc1)(N+)(=O)(O)
ZINC000055554920
ZINC55554920
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