Vitas-M small molecule compound
4,4'-{propane-2,2-diylbis[benzene-4,1-diyloxy(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]}dibenzoic acid
Catalog ID
STK371561
SMILES O=C1c2cc(ccc2C(=O)N1c1ccc(cc1)C(=O)O)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)C(=O)O)(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 C45H30N2O10 MW 758.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H30N2O10/c1-45(2,27-7-15-31(16-8-27)56-33-19-21-35-37(23-33)41(50)46(39(35)48)29-11-3-25(4-12-29)43(52)53)28-9-17-32(18-10-28)57-34-20-22-36-38(24-34)42(51)47(40(36)49)30-13-5-26(6-14-30)44(54)55/h3-24H,1-2H3,(H,52,53)(H,54,55)InChIKey
VTEPRQXFAIQGKW-UHFFFAOYSA-NSynonyms
4(5(4(1(4(2(4CARBOXYPHENYL)13DIOXOBENZO(C)AZOLIN5YLOXY)PHENYL)ISOPROPYL)PHENOXY)13DIOXOBENZO(C)AZOLIN2YL)BENZOICACID
4(5(4(2(4(2(4CARBOXYPHENYL)13DIOXOISOINDOL5YL)OXYPHENYL)PROPAN2YL)PHENOXY)13DIOXOISOINDOL2YL)BENZOICACID
44(propane22diylbis(benzene41diyloxy(13dioxo13dihydro2Hisoindole52diyl)))dibenzoicacid
CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)OC6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=C(C=C8)C(=O)O
InChI=1SC45H30N2O10c145(22771531(16827)563319213537(2333)41(50)46(39(35)48)2911325(41229)43(52)53)2891732(181028)573420223638(2434)42(51)47(40(36)49)3013526(61430)44(54)55h324H12H3(H5253)(H5455)
MFCD00304574
ZINC000150392076
ZINC150392076
Check stock
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Check stock on Vitas-MAvailable files
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