Vitas-M small molecule compound
4,4'-{carbonylbis[benzene-3,1-diyl(1,3-dioxo-1,3-dihydro-2H-isoindole-2,5-diyl)sulfonyl]}dibenzoic acid
Catalog ID
STK156654
SMILES O=C(c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)S(=O)(=O)c1ccc(cc1)C(=O)O)c1cccc(c1)N1C(=O)c2c(C1=O)cc(cc2)S(=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 C43H24N2O13S2 MW 840.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C43H24N2O13S2/c46-37(25-3-1-5-27(19-25)44-38(47)33-17-15-31(21-35(33)40(44)49)59(55,56)29-11-7-23(8-12-29)42(51)52)26-4-2-6-28(20-26)45-39(48)34-18-16-32(22-36(34)41(45)50)60(57,58)30-13-9-24(10-14-30)43(53)54/h1-22H,(H,51,52)(H,53,54)InChIKey
AZWNTLPQRLHHLN-UHFFFAOYSA-NSynonyms
4((2(3((3(5((4CARBOXYPHENYL)SULFONYL)13DIOXOBENZO(C)AZOLIDIN2YL)PHENYL)CARBONYL)PHENYL)13DIOXOBENZO(C)AZOLIN5YL)SULFONYL)BENZOICACID
4(2(3(3(5(4CARBOXYPHENYL)SULFONYL13DIOXOISOINDOL2YL)BENZOYL)PHENYL)13DIOXOISOINDOL5YL)SULFONYLBENZOICACID
44(CARBONYLBIS(BENZENE31DIYL(13DIOXO13DIHYDRO2HISOINDOLE25DIYL)SULFONYL))DIBENZOICACID
C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)C(=O)C5=CC(=CC=C5)N6C(=O)C7=C(C6=O)C=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)C(=O)O
InChI=1SC43H24N2O13S2c4637(2531527(1925)4438(47)33171531(2135(33)40(44)49)59(5556)2911723(81229)42(51)52)2642628(2026)4539(48)34181632(2236(34)41(45)50)60(5758)3013924(101430)43(53)54h122H(H5152)(H5354)
MFCD00487882
ZINC000150351855
ZINC150351855
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