Vitas-M small molecule compound

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

Catalog ID
STK253274
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2C=C1)Cc1ccccc1)OCC(=O)c1ccc(c(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 C28H27NO5 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27NO5/c1-16-8-9-19(12-17(16)2)23(30)15-34-28(33)22(13-18-6-4-3-5-7-18)29-26(31)24-20-10-11-21(14-20)25(24)27(29)32/h3-12,20-22,24-25H,13-15H2,1-2H3
InChIKey
UUKIXNLGKBWLGL-UHFFFAOYSA-N
Synonyms

2(34DIMETHYLPHENYL)2OXOETHYL2(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)3PHENYLPROPANOATE
CC1=C(C=C(C=C1)C(=O)COC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5)C
InChI=1SC28H27NO5c1168919(1217(16)2)23(30)153428(33)22(13186435718)2926(31)2420101121(1420)25(24)27(29)32h31220222425H1315H212H3
MFCD02577659
ZINC000100603548
ZINC000239229158

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Available files

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