Vitas-M small molecule compound

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

Catalog ID
STK954990
SMILES OC(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)COc1ccc(cc1)OCC(CN1CCN(CC1)C(c1ccccc1)c1ccccc1)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 C46H54N4O4 MW 726.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H54N4O4/c51-41(33-47-25-29-49(30-26-47)45(37-13-5-1-6-14-37)38-15-7-2-8-16-38)35-53-43-21-23-44(24-22-43)54-36-42(52)34-48-27-31-50(32-28-48)46(39-17-9-3-10-18-39)40-19-11-4-12-20-40/h1-24,41-42,45-46,51-52H,25-36H2
InChIKey
FICDOSLWBCUQQL-UHFFFAOYSA-N
Synonyms

1(4(DIPHENYLMETHYL)PIPERAZINYL)3(4(3(4(DIPHENYLMETHYL)PIPERAZINYL)2HYDROXYPROPOXY)PHENOXY)PROPAN2OL
1(4BENZHYDRYLPIPERAZIN1YL)3(4(3(4BENZHYDRYLPIPERAZIN1YL)2HYDROXYPROPOXY)PHENOXY)PROPAN2OL
33(benzene14diylbis(oxy))bis(1(4(diphenylmethyl)piperazin1yl)propan2ol)
C1CN(CCN1CC(COC2=CC=C(C=C2)OCC(CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)O)O)C(C6=CC=CC=C6)C7=CC=CC=C7
InChI=1SC46H54N4O4c5141(3347252949(302647)45(37135161437)38157281638)355343212344(242243)543642(52)3448273150(322848)46(391793101839)4019114122040h124414245465152H2536H2
MFCD00573047
ZINC000097997033
ZINC000097997035

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Available files

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