Vitas-M small molecule compound

3,3'-[benzene-1,4-diylbis(oxy)]bis[1-(dibenzylamino)propan-2-ol]

Catalog ID
STK552312
SMILES OC(CN(Cc1ccccc1)Cc1ccccc1)COc1ccc(cc1)OCC(CN(Cc1ccccc1)Cc1ccccc1)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 C40H44N2O4 MW 616.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H44N2O4/c43-37(29-41(25-33-13-5-1-6-14-33)26-34-15-7-2-8-16-34)31-45-39-21-23-40(24-22-39)46-32-38(44)30-42(27-35-17-9-3-10-18-35)28-36-19-11-4-12-20-36/h1-24,37-38,43-44H,25-32H2
InChIKey
HOBJQNDPHXNUGP-UHFFFAOYSA-N
Synonyms

1(BISBENZYLAMINO)3(4(3(BISBENZYLAMINO)2HYDROXYPROPOXY)PHENOXY)PROPAN2OL
1(DIBENZYLAMINO)3(4(3(DIBENZYLAMINO)2HYDROXYPROPOXY)PHENOXY)PROPAN2OL
33(14phenylenebis(oxy))bis(1(dibenzylamino)propan2ol)dihydrochloride
33(benzene14diylbis(oxy))bis(1(dibenzylamino)propan2ol)
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)OCC(CN(CC4=CC=CC=C4)CC5=CC=CC=C5)O)O
InChI=1SC40H44N2O4c4337(2941(2533135161433)2634157281634)314539212340(242239)463238(44)3042(27351793101835)283619114122036h12437384344H2532H2
MFCD01067983
OC(CN(Cc1ccccc1)Cc1ccccc1)COc1ccc(cc1)OCC(CN(Cc1ccccc1)Cc1ccccc1)OClCl
ZINC000097944139
ZINC000097944141

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Available files

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