Vitas-M small molecule compound

3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-(4-phenoxyphenyl)benzamide

Catalog ID
STK275125
SMILES O=C1N(c2cccc(c2)C(=O)Nc2ccc(cc2)Oc2ccccc2)C(=O)C2C1C1C=CC2C1

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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 C28H22N2O4 MW 450.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O4/c31-26(29-20-11-13-23(14-12-20)34-22-7-2-1-3-8-22)19-5-4-6-21(16-19)30-27(32)24-17-9-10-18(15-17)25(24)28(30)33/h1-14,16-18,24-25H,15H2,(H,29,31)
InChIKey
JRCQKDQMPZHPBB-UHFFFAOYSA-N
Synonyms

3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)N(4phenoxyphenyl)benzamide
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6
InChI=1SC28H22N2O4c3126(2920111323(141220)34227213822)1954621(1619)3027(32)241791018(1517)25(24)28(30)33h11416182425H15H2(H2931)
MFCD03185948
ZINC000101328237
ZINC000239121296

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.