Vitas-M small molecule compound
[4-(5-chloro-2-methylphenyl)piperazin-1-yl][5-(4-nitrophenyl)-1H-pyrazol-4-yl]methanone
Catalog ID
STL184291
SMILES Clc1ccc(c(c1)N1CCN(CC1)C(=O)c1cn[nH]c1c1ccc(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 C21H20ClN5O3 MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3/c1-14-2-5-16(22)12-19(14)25-8-10-26(11-9-25)21(28)18-13-23-24-20(18)15-3-6-17(7-4-15)27(29)30/h2-7,12-13H,8-11H2,1H3,(H,23,24)InChIKey
KAPMXVNLBSIYEF-UHFFFAOYSA-NSynonyms
(4(5chloro2methylphenyl)piperazin1yl)(5(4nitrophenyl)1Hpyrazol4yl)methanone
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)(N+)(=O)(O)
Clc1ccc(c(c1)N1CCN(CC1)C(=O)c1cn(nH)c1c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC21H20ClN5O3c1142516(22)1219(14)2581026(11925)21(28)1813232420(18)153617(7415)27(29)30h271213H811H21H3(H2324)
MFCD22386433
ZINC000020177260
ZINC20177260
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