Vitas-M small molecule compound

3,3'-{benzene-1,4-diylbis[oxycarbonyl(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]}bis(6-hydroxybenzoic acid)

Catalog ID
STK375279
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C(=O)O)O)Oc1ccc(cc1)OC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(c(c1)C(=O)O)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 C38H20N2O14 MW 728.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H20N2O14/c41-29-11-3-19(15-27(29)35(47)48)39-31(43)23-9-1-17(13-25(23)33(39)45)37(51)53-21-5-7-22(8-6-21)54-38(52)18-2-10-24-26(14-18)34(46)40(32(24)44)20-4-12-30(42)28(16-20)36(49)50/h1-16,41-42H,(H,47,48)(H,49,50)
InChIKey
VKSXDKYKNKTHSJ-UHFFFAOYSA-N
Synonyms

33(benzene14diylbis(oxycarbonyl(13dioxo13dihydro2Hisoindole52diyl)))bis(6hydroxybenzoicacid)
5(5((4(2(3CARBOXY4HYDROXYPHENYL)13DIOXOBENZO(C)AZOLIDIN5YLCARBONYLOXY)PHENYL)OXYCARBONYL)13DIOXOBENZO(C)AZOLIDIN2YL)2HYDROXYBENZOICACID
5(5(4(2(3CARBOXY4HYDROXYPHENYL)13DIOXOISOINDOLE5CARBONYL)OXYPHENOXY)CARBONYL13DIOXOISOINDOL2YL)2HYDROXYBENZOICACID
C1=CC(=CC=C1OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)O)C(=O)O)OC(=O)C5=CC6=C(C=C5)C(=O)N(C6=O)C7=CC(=C(C=C7)O)C(=O)O
InChI=1SC38H20N2O14c412911319(1527(29)35(47)48)3931(43)239117(1325(23)33(39)45)37(51)53215722(8621)5438(52)182102426(1418)34(46)40(32(24)44)2041230(42)28(1620)36(49)50h1164142H(H4748)(H4950)
MFCD01006493
ZINC000150363351
ZINC150363351

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Available files

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