Vitas-M small molecule compound

2,2'-[benzene-1,3-diylbis(oxybenzene-4,1-diyl)]bis[N-(3-ethynylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide]

Catalog ID
STK662615
SMILES C#Cc1cccc(c1)NC(=O)c1ccc2c(c1)C(=O)N(C2=O)c1ccc(cc1)Oc1cccc(c1)Oc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)Nc1cccc(c1)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 C52H30N4O8 MW 838.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C52H30N4O8/c1-3-31-8-5-10-35(26-31)53-47(57)33-14-24-43-45(28-33)51(61)55(49(43)59)37-16-20-39(21-17-37)63-41-12-7-13-42(30-41)64-40-22-18-38(19-23-40)56-50(60)44-25-15-34(29-46(44)52(56)62)48(58)54-36-11-6-9-32(4-2)27-36/h1-2,5-30H,(H,53,57)(H,5
InChIKey
HEOMNPCLTZIPJU-UHFFFAOYSA-N
Synonyms

22(BENZENE13DIYLBIS(OXYBENZENE41DIYL))BIS(N(3ETHYNYLPHENYL)13DIOXO23DIHYDRO1HISOINDOLE5CARBOXAMIDE)
C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)OC5=CC(=CC=C5)OC6=CC=C(C=C6)N7C(=O)C8=C(C7=O)C=C(C=C8)C(=O)NC9=CC=CC(=C9)C#C
InChI=1SC52H30N4O8c1331851035(2631)5347(57)3314244345(2833)51(61)55(49(43)59)37162039(211737)63411271342(3041)6440221838(192340)5650(60)44251534(2946(44)52(56)62)48(58)5436116932(42)2736h12530H(H5357)(H5458)
MFCD00779267
N(3ETHYNYLPHENYL)(2(4(3(4(5(N(3ETHYNYLPHENYL)CARBAMOYL)13DIOXOBENZO(C)AZOLIDIN2YL)PHENOXY)PHENOXY)PHENYL)13DIOXOBENZO(C)AZOLIDIN5YL)CARBOXAMIDE
N(3ETHYNYLPHENYL)2(4(3(4(5((3ETHYNYLPHENYL)CARBAMOYL)13DIOXOISOINDOL2YL)PHENOXY)PHENOXY)PHENYL)13DIOXOISOINDOLE5CARBOXAMIDE
ZINC000150360228
ZINC150360228

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Available files

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