Vitas-M small molecule compound

2,2'-[1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diylbis(1-oxo-3-phenylpropane-1,2-diyl)]bis(1H-isoindole-1,3(2H)-dione)

Catalog ID
STK392339
SMILES O=C(C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)N1CCOCCN(CCOCCOCC1)C(=O)C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1

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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 C44H44N4O9 MW 772.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H44N4O9/c49-39-33-15-7-8-16-34(33)40(50)47(39)37(29-31-11-3-1-4-12-31)43(53)45-19-23-55-24-20-46(22-26-57-28-27-56-25-21-45)44(54)38(30-32-13-5-2-6-14-32)48-41(51)35-17-9-10-18-36(35)42(48)52/h1-18,37-38H,19-30H2
InChIKey
ZOHIQIQQYMNFLI-UHFFFAOYSA-N
Synonyms

2(1(13(2(13dioxoisoindol2yl)3phenylpropanoyl)1410trioxa713diazacyclopentadec7yl)1oxo3phenylpropan2yl)isoindole13dione
22(1410trioxa713diazacyclopentadecane713diylbis(1oxo3phenylpropane12diyl))bis(1Hisoindole13(2H)dione)
C1COCCN(CCOCCOCCN1C(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(=O)C(CC5=CC=CC=C5)N6C(=O)C7=CC=CC=C7C6=O
InChI=1SC44H44N4O9c49393315781634(33)40(50)47(39)37(2931113141231)43(53)45192355242046(222657282756252145)44(54)38(3032135261432)4841(51)35179101836(35)42(48)52h1183738H1930H2
MFCD00302616
ZINC000150386898
ZINC000150386900

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Available files

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