Vitas-M small molecule compound
4,4'-{oxybis[ethane-2,1-diyloxybenzene-4,1-diyl(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonyl]}dibenzoic acid
Catalog ID
STK296364
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)OCCOCCOc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=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 C48H32N2O13 MW 844.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C48H32N2O13/c51-41(27-1-5-29(6-2-27)47(57)58)31-9-19-37-39(25-31)45(55)49(43(37)53)33-11-15-35(16-12-33)62-23-21-61-22-24-63-36-17-13-34(14-18-36)50-44(54)38-20-10-32(26-40(38)46(50)56)42(52)28-3-7-30(8-4-28)48(59)60/h1-20,25-26H,21-24H2,(H,57,58InChIKey
BRFRKFPJCXAZQW-UHFFFAOYSA-NSynonyms
4((2(4(2(2(4(5((4CARBOXYPHENYL)CARBONYL)13DIOXOBENZO(C)AZOLIDIN2YL)PHENOXY)ETHOXY)ETHOXY)PHENYL)13DIOXOBENZO(C)AZOLIDIN5YL)CARBONYL)BENZOICACID
4(2(4(2(2(4(5(4CARBOXYBENZOYL)13DIOXOISOINDOL2YL)PHENOXY)ETHOXY)ETHOXY)PHENYL)13DIOXOISOINDOLE5CARBONYL)BENZOICACID
44(oxybis(ethane21diyloxybenzene41diyl(13dioxo13dihydro2Hisoindole25diyl)carbonyl))dibenzoicacid
C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OCCOCCOC5=CC=C(C=C5)N6C(=O)C7=C(C6=O)C=C(C=C7)C(=O)C8=CC=C(C=C8)C(=O)O)C(=O)O
InChI=1SC48H32N2O13c5141(271529(6227)47(57)58)319193739(2531)45(55)49(43(37)53)33111535(161233)6223216122246336171334(141836)5044(54)38201032(2640(38)46(50)56)42(52)283730(8428)48(59)60h1202526H2124H2(H5758)(H5960)
MFCD00635154
ZINC000150350662
ZINC150350662
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