Vitas-M small molecule compound
[4-(3-methylphenyl)piperazin-1-yl][5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL184281
SMILES Cc1cccc(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 C21H21N5O3 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3/c1-15-3-2-4-18(13-15)24-9-11-25(12-10-24)21(27)19-14-22-23-20(19)16-5-7-17(8-6-16)26(28)29/h2-8,13-14H,9-12H2,1H3,(H,22,23)InChIKey
GTYXAPDWANOSOO-UHFFFAOYSA-NSynonyms
(4(3methylphenyl)piperazin1yl)(5(4nitrophenyl)1Hpyrazol4yl)methanone
CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
Cc1cccc(c1)N1CCN(CC1)C(=O)c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H21N5O3c11532418(1315)2491125(121024)21(27)1914222320(19)165717(8616)26(28)29h281314H912H21H3(H2223)
MFCD22386423
ZINC000072328745
ZINC72328745
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