Vitas-M small molecule compound
[5-(4-bromophenyl)-1H-pyrazol-3-yl][4-(4-methoxyphenyl)piperazin-1-yl]methanone
Catalog ID
STK901285
SMILES COc1ccc(cc1)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/c1-28-18-8-6-17(7-9-18)25-10-12-26(13-11-25)21(27)20-14-19(23-24-20)15-2-4-16(22)5-3-15/h2-9,14H,10-13H2,1H3,(H,23,24)InChIKey
BJDCMFKFQFVDHM-UHFFFAOYSA-NSynonyms
(3(4bromophenyl)1Hpyrazol5yl)(4(4methoxyphenyl)piperazin1yl)methanone
(5(4bromophenyl)1Hpyrazol3yl)(4(4methoxyphenyl)piperazin1yl)methanone
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br
COc1ccc(cc1)N1CCN(CC1)C(=O)c1n(nH)c(c1)c1ccc(cc1)Br
InChI=1SC21H21BrN4O2c128188617(7918)25101226(131125)21(27)201419(232420)152416(22)5315h2914H1013H21H3(H2324)
MFCD18174079
ZINC000015680557
ZINC15680557
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