Vitas-M small molecule compound

2-(4-methylphenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate

Catalog ID
STK253295
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1)OCC(=O)c1ccc(cc1)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 C27H25NO5 MW 443.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO5/c1-16-7-9-18(10-8-16)22(29)15-33-27(32)21(13-17-5-3-2-4-6-17)28-25(30)23-19-11-12-20(14-19)24(23)26(28)31/h2-12,19-21,23-24H,13-15H2,1H3
InChIKey
YTDGKRWSZHSWDY-UHFFFAOYSA-N
Synonyms

2(4METHYLPHENYL)2OXOETHYL2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)3PHENYLPROPANOATE
CC1=CC=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC27H25NO5c1167918(10816)22(29)153327(32)21(13175324617)2825(30)2319111220(1419)24(23)26(28)31h21219212324H1315H21H3
MFCD02614305
ZINC000100603531
ZINC000239433925

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Available files

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