Vitas-M small molecule compound

3,3'-{propane-2,2-diylbis[benzene-4,1-diyloxy(1,3-dioxo-1,3-dihydro-2H-isoindole-5,2-diyl)]}dibenzoic acid

Catalog ID
STK374243
SMILES O=C1c2cc(ccc2C(=O)N1c1cccc(c1)C(=O)O)Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc2c(c1)C(=O)N(C2=O)c1cccc(c1)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(2,27-9-13-31(14-10-27)56-33-17-19-35-37(23-33)41(50)46(39(35)48)29-7-3-5-25(21-29)43(52)53)28-11-15-32(16-12-28)57-34-18-20-36-38(24-34)42(51)47(40(36)49)30-8-4-6-26(22-30)44(54)55/h3-24H,1-2H3,(H,52,53)(H,54,55)
InChIKey
KKCZRMDGVRNFTA-UHFFFAOYSA-N
Synonyms

3(5(4(2(4(2(3CARBOXYPHENYL)13DIOXOISOINDOL5YL)OXYPHENYL)PROPAN2YL)PHENOXY)13DIOXOISOINDOL2YL)BENZOICACID
33(propane22diylbis(benzene41diyloxy(13dioxo13dihydro2Hisoindole52diyl)))dibenzoicacid
CC(C)(C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)O)C5=CC=C(C=C5)OC6=CC7=C(C=C6)C(=O)N(C7=O)C8=CC=CC(=C8)C(=O)O
InChI=1SC45H30N2O10c145(22791331(141027)563317193537(2333)41(50)46(39(35)48)2973525(2129)43(52)53)28111532(161228)573418203638(2434)42(51)47(40(36)49)3084626(2230)44(54)55h324H12H3(H5253)(H5455)
MFCD01028225
ZINC000150393133
ZINC150393133

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Available files

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