Vitas-M small molecule compound
[4-(2-methylphenyl)piperazin-1-yl][5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL184297
SMILES O=C(c1cn[nH]c1c1ccc(cc1)[N+](=O)[O-])N1CCN(CC1)c1ccccc1C
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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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-15-4-2-3-5-19(15)24-10-12-25(13-11-24)21(27)18-14-22-23-20(18)16-6-8-17(9-7-16)26(28)29/h2-9,14H,10-13H2,1H3,(H,22,23)InChIKey
ULTRYEDBAAJMIC-UHFFFAOYSA-NSynonyms
(4(2methylphenyl)piperazin1yl)(5(4nitrophenyl)1Hpyrazol4yl)methanone
CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H21N5O3c115423519(15)24101225(131124)21(27)1814222320(18)166817(9716)26(28)29h2914H1013H21H3(H2223)
MFCD22386439
O=C(c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O))N1CCN(CC1)c1ccccc1C
ZINC000072328760
ZINC72328760
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