Vitas-M small molecule compound
[4-(3-methoxyphenyl)piperazin-1-yl][5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL184284
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1cn[nH]c1c1ccc(cc1)[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 C21H21N5O4 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4/c1-30-18-4-2-3-17(13-18)24-9-11-25(12-10-24)21(27)19-14-22-23-20(19)15-5-7-16(8-6-15)26(28)29/h2-8,13-14H,9-12H2,1H3,(H,22,23)InChIKey
XJTULAOUEWJBHK-UHFFFAOYSA-NSynonyms
(4(3methoxyphenyl)piperazin1yl)(5(4nitrophenyl)1Hpyrazol4yl)methanone
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cccc(c1)N1CCN(CC1)C(=O)c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H21N5O4c1301842317(1318)2491125(121024)21(27)1914222320(19)155716(8615)26(28)29h281314H912H21H3(H2223)
MFCD22386426
ZINC000072328748
ZINC72328748
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