Vitas-M small molecule compound

2,2'-[1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diylbis(1-oxo-3-phenylpropane-1,2-diyl)]bis(1H-isoindole-1,3(2H)-dione)

Catalog ID
STK392345
SMILES O=C(C(N1C(=O)c2c(C1=O)cccc2)Cc1ccccc1)N1CCOCCOCCN(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 C46H48N4O10 MW 816.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H48N4O10/c51-41-35-15-7-8-16-36(35)42(52)49(41)39(31-33-11-3-1-4-12-33)45(55)47-19-23-57-27-29-59-25-21-48(22-26-60-30-28-58-24-20-47)46(56)40(32-34-13-5-2-6-14-34)50-43(53)37-17-9-10-18-38(37)44(50)54/h1-18,39-40H,19-32H2
InChIKey
WDFFNWMSDVKUTC-UHFFFAOYSA-N
Synonyms

2(1(16(2(13dioxoisoindol2yl)3phenylpropanoyl)141013tetraoxa716diazacyclooctadec7yl)1oxo3phenylpropan2yl)isoindole13dione
22(141013tetraoxa716diazacyclooctadecane716diylbis(1oxo3phenylpropane12diyl))bis(1Hisoindole13(2H)dione)
C1COCCOCCN(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=1SC46H48N4O10c51413515781636(35)42(52)49(41)39(3133113141233)45(55)47192357272959252148(222660302858242047)46(56)40(3234135261434)5043(53)37179101838(37)44(50)54h1183940H1932H2
MFCD00302617
ZINC000150386913
ZINC000150386916

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Available files

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