Vitas-M small molecule compound

3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[4-(4-ethoxybenzyl)piperazin-1-yl]propan-2-ol}

Catalog ID
STK699776
SMILES CCOc1ccc(cc1)CN1CCN(CC1)CC(COc1ccc(cc1)OCC(CN1CCN(CC1)Cc1ccc(cc1)OCC)O)O

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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 C38H54N4O6 MW 662.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H54N4O6/c1-3-45-35-9-5-31(6-10-35)25-39-17-21-41(22-18-39)27-33(43)29-47-37-13-15-38(16-14-37)48-30-34(44)28-42-23-19-40(20-24-42)26-32-7-11-36(12-8-32)46-4-2/h5-16,33-34,43-44H,3-4,17-30H2,1-2H3
InChIKey
WNUCKYJPYJTWOD-UHFFFAOYSA-N
Synonyms

1(4((4ETHOXYPHENYL)METHYL)PIPERAZIN1YL)3(4(3(4((4ETHOXYPHENYL)METHYL)PIPERAZIN1YL)2HYDROXYPROPOXY)PHENOXY)PROPAN2OL
33(14phenylenebis(oxy))bis(1(4(4ethoxybenzyl)piperazin1yl)propan2ol)
33(benzene14diylbis(oxy))bis(1(4(4ethoxybenzyl)piperazin1yl)propan2ol)
CCOC1=CC=C(C=C1)CN2CCN(CC2)CC(COC3=CC=C(C=C3)OCC(CN4CCN(CC4)CC5=CC=C(C=C5)OCC)O)O
InChI=1SC38H54N4O6c1345359531(61035)2539172141(221839)2733(43)294737131538(161437)483034(44)2842231940(202442)263271136(12832)4642h51633344344H341730H212H3
MFCD00619391
ZINC000049918143
ZINC000049918145

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.