Vitas-M small molecule compound
[5-(4-nitrophenyl)-1H-pyrazol-4-yl][4-(pyrimidin-2-yl)piperazin-1-yl]methanone
Catalog ID
STL184294
SMILES O=C(c1cn[nH]c1c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ncccn1
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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 C18H17N7O3 MW 379.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N7O3/c26-17(23-8-10-24(11-9-23)18-19-6-1-7-20-18)15-12-21-22-16(15)13-2-4-14(5-3-13)25(27)28/h1-7,12H,8-11H2,(H,21,22)InChIKey
HRGPAEQGHDLJMF-UHFFFAOYSA-NSynonyms
(5(4nitrophenyl)1Hpyrazol4yl)(4(pyrimidin2yl)piperazin1yl)methanone
(5(4nitrophenyl)1Hpyrazol4yl)(4pyrimidin2ylpiperazin1yl)methanone
C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC18H17N7O3c2617(2381024(11923)18196172018)1512212216(15)132414(5313)25(27)28h1712H811H2(H2122)
MFCD22386436
O=C(c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)c1ncccn1
ZINC000072328757
ZINC72328757
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