Vitas-M small molecule compound
[5-(4-bromophenyl)-1H-pyrazol-3-yl][4-(3-methoxyphenyl)piperazin-1-yl]methanone
Catalog ID
STK901284
SMILES COc1cccc(c1)N1CCN(CC1)C(=O)c1n[nH]c(c1)c1ccc(cc1)Br
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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 C21H21BrN4O2 MW 441.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN4O2/c1-28-18-4-2-3-17(13-18)25-9-11-26(12-10-25)21(27)20-14-19(23-24-20)15-5-7-16(22)8-6-15/h2-8,13-14H,9-12H2,1H3,(H,23,24)InChIKey
GQOFPEZEZJWGLU-UHFFFAOYSA-NSynonyms
(3(4bromophenyl)1Hpyrazol5yl)(4(3methoxyphenyl)piperazin1yl)methanone
(5(4bromophenyl)1Hpyrazol3yl)(4(3methoxyphenyl)piperazin1yl)methanone
COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br
COc1cccc(c1)N1CCN(CC1)C(=O)c1n(nH)c(c1)c1ccc(cc1)Br
InChI=1SC21H21BrN4O2c1281842317(1318)2591126(121025)21(27)201419(232420)155716(22)8615h281314H912H21H3(H2324)
MFCD18174078
ZINC000015679389
ZINC15679389
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