Vitas-M small molecule compound
1-{4-[3-(benzyloxy)-4-methoxybenzyl]piperazin-1-yl}-2-(4-bromophenoxy)ethanone
Catalog ID
STK194076
SMILES COc1ccc(cc1OCc1ccccc1)CN1CCN(CC1)C(=O)COc1ccc(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 C27H29BrN2O4 MW 525.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29BrN2O4/c1-32-25-12-7-22(17-26(25)34-19-21-5-3-2-4-6-21)18-29-13-15-30(16-14-29)27(31)20-33-24-10-8-23(28)9-11-24/h2-12,17H,13-16,18-20H2,1H3InChIKey
NIERGRBUYHJMCT-UHFFFAOYSA-NSynonyms
1(4(3(BENZYLOXY)4METHOXYBENZYL)PIPERAZIN1YL)2(4BROMOPHENOXY)ETHANONE
2(4BROMOPHENOXY)1(4((4METHOXY3PHENYLMETHOXYPHENYL)METHYL)PIPERAZIN1YL)ETHANONE
COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)COC3=CC=C(C=C3)Br)OCC4=CC=CC=C4
InChI=1SC27H29BrN2O4c1322512722(1726(25)3419215324621)1829131530(161429)27(31)20332410823(28)91124h21217H13161820H21H3
MFCD04390820
ZINC000019889232
ZINC19889232
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