Vitas-M small molecule compound
[4-(2,5-dimethylphenyl)piperazin-1-yl][3-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL197906
SMILES Cc1ccc(c(c1)N1CCN(CC1)C(=O)c1c[nH]nc1c1ccc(cc1)[N+](=O)[O-])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 C22H23N5O3 MW 405.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3/c1-15-3-4-16(2)20(13-15)25-9-11-26(12-10-25)22(28)19-14-23-24-21(19)17-5-7-18(8-6-17)27(29)30/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)InChIKey
GTMGQJLVLHOMNF-UHFFFAOYSA-NSynonyms
(4(25dimethylphenyl)piperazin1yl)(3(4nitrophenyl)1Hpyrazol4yl)methanone
(4(25dimethylphenyl)piperazin1yl)(5(4nitrophenyl)1Hpyrazol4yl)methanone
CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
Cc1ccc(c(c1)N1CCN(CC1)C(=O)c1c(nH)nc1c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC22H23N5O3c1153416(2)20(1315)2591126(121025)22(28)1914232421(19)175718(8617)27(29)30h381314H912H212H3(H2324)
MFCD09222056
ZINC000004885787
ZINC4885787
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