Vitas-M small molecule compound
2,2'-{sulfonylbis[benzene-4,1-diyl(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)carbonylimino]}dibenzoic acid
Catalog ID
STK073709
SMILES O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1ccccc1C(=O)O)Nc1ccccc1C(=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 C44H26N4O12S MW 834.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H26N4O12S/c49-37(45-35-7-3-1-5-31(35)43(55)56)23-9-19-29-33(21-23)41(53)47(39(29)51)25-11-15-27(16-12-25)61(59,60)28-17-13-26(14-18-28)48-40(52)30-20-10-24(22-34(30)42(48)54)38(50)46-36-8-4-2-6-32(36)44(57)58/h1-22H,(H,45,49)(H,46,50)(H,55,56)InChIKey
BKJONYAUZWDBDE-UHFFFAOYSA-NSynonyms
2((2(4(4(5((2CARBOXYPHENYL)CARBAMOYL)13DIOXOISOINDOL2YL)PHENYL)SULFONYLPHENYL)13DIOXOISOINDOLE5CARBONYL)AMINO)BENZOICACID
22(SULFONYLBIS(BENZENE41DIYL(13DIOXO13DIHYDRO2HISOINDOLE25DIYL)CARBONYLIMINO))DIBENZOICACID
C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)N6C(=O)C7=C(C6=O)C=C(C=C7)C(=O)NC8=CC=CC=C8C(=O)O
InChI=1SC44H26N4O12Sc4937(4535731531(35)43(55)56)239192933(2123)41(53)47(39(29)51)25111527(161225)61(5960)28171326(141828)4840(52)30201024(2234(30)42(48)54)38(50)4636842632(36)44(57)58h122H(H4549)(H4650)(H5556)(H5758)
MFCD00302940
O=C(c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1ccccc1C(=O)O)Nc1ccccc1C(=O)O
STK073709
ZINC000150403741
ZINC150403741
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