Vitas-M small molecule compound

dimethyl 4,4'-{propane-2,2-diylbis[benzene-4,1-diyloxy(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]}dibenzoate

Catalog ID
STK359184
SMILES COC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(=O)OC)(C)C

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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 C47H34N2O10 MW 786.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C47H34N2O10/c1-47(2,29-9-17-33(18-10-29)58-35-21-23-37-39(25-35)43(52)48(41(37)50)31-13-5-27(6-14-31)45(54)56-3)30-11-19-34(20-12-30)59-36-22-24-38-40(26-36)44(53)49(42(38)51)32-15-7-28(8-16-32)46(55)57-4/h5-26H,1-4H3
InChIKey
HTNLSULKHPQKNP-UHFFFAOYSA-N
Synonyms

CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OC)C5=CC=C(C=C5)OC6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)OC
dimethyl44(propane22diylbis(benzene41diyloxy(13dioxo13dihydro2Hisoindole52diyl)))dibenzoate
InChI=1SC47H34N2O10c147(22991733(181029)583521233739(2535)43(52)48(41(37)50)3113527(61431)45(54)563)30111934(201230)593622243840(2636)44(53)49(42(38)51)3215728(81632)46(55)574h526H14H3
METHYL4(5(4(1(4(2(4(METHOXYCARBONYL)PHENYL)13DIOXOBENZO(C)AZOLIN5YLOXY)PHENYL)ISOPROPYL)PHENOXY)13DIOXOBENZO(C)AZOLIDIN2YL)BENZOATE
METHYL4(5(4(2(4(2(4METHOXYCARBONYLPHENYL)13DIOXOISOINDOL5YL)OXYPHENYL)PROPAN2YL)PHENOXY)13DIOXOISOINDOL2YL)BENZOATE
MFCD01081073
ZINC000150411158
ZINC150411158

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Available files

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