Vitas-M small molecule compound
[5-(4-bromophenyl)-1H-pyrazol-3-yl][4-(2,3,4-trimethoxybenzyl)piperazin-1-yl]methanone
Catalog ID
STL183161
SMILES COc1c(ccc(c1OC)OC)CN1CCN(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 C24H27BrN4O4 MW 515.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27BrN4O4/c1-31-21-9-6-17(22(32-2)23(21)33-3)15-28-10-12-29(13-11-28)24(30)20-14-19(26-27-20)16-4-7-18(25)8-5-16/h4-9,14H,10-13,15H2,1-3H3,(H,26,27)InChIKey
TZHLVCVFIQGPRR-UHFFFAOYSA-NSynonyms
(3(4bromophenyl)1Hpyrazol5yl)(4((234trimethoxyphenyl)methyl)piperazin1yl)methanone
(5(4bromophenyl)1Hpyrazol3yl)(4(234trimethoxybenzyl)piperazin1yl)methanone
COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Br)OC)OC
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C(=O)c1n(nH)c(c1)c1ccc(cc1)Br
InChI=1SC24H27BrN4O4c131219617(22(322)23(21)333)1528101229(131128)24(30)201419(262720)164718(25)8516h4914H101315H213H3(H2627)
MFCD22385699
ZINC000020531698
ZINC20531698
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