Vitas-M small molecule compound
1-{4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}-2,2-dimethylpropan-1-one
Catalog ID
STK150316
SMILES Cc1nn(c(c1)C)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C(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 C20H27N5O3 MW 385.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O3/c1-14-12-15(2)24(21-14)18-13-16(6-7-17(18)25(27)28)22-8-10-23(11-9-22)19(26)20(3,4)5/h6-7,12-13H,8-11H2,1-5H3InChIKey
AQZNGDJITRWSNP-UHFFFAOYSA-NSynonyms
1(4(3(35DIMETHYL1HPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
1(4(3(35DIMETHYLPYRAZOL1YL)4NITROPHENYL)PIPERAZIN1YL)22DIMETHYLPROPAN1ONE
CC1=CC(=NN1C2=C(C=CC(=C2)N3CCN(CC3)C(=O)C(C)(C)C)(N+)(=O)(O))C
Cc1nn(c(c1)C)c1cc(ccc1(N+)(=O)(O))N1CCN(CC1)C(=O)C(C)(C)C
InChI=1SC20H27N5O3c1141215(2)24(2114)181316(6717(18)25(27)28)2281023(11922)19(26)20(34)5h671213H811H215H3
MFCD03306368
ZINC000004687551
ZINC04687551
ZINC4687551
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