Vitas-M small molecule compound

4-tert-butylphenyl 2-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)-3-phenylpropanoate

Catalog ID
STK257728
SMILES O=C(C(N1C(=O)C2C(C1=O)C1CC2CC1)Cc1ccccc1)Oc1ccc(cc1)C(C)(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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-28(2,3)20-11-13-21(14-12-20)33-27(32)22(15-17-7-5-4-6-8-17)29-25(30)23-18-9-10-19(16-18)24(23)26(29)31/h4-8,11-14,18-19,22-24H,9-10,15-16H2,1-3H3
InChIKey
RERBILWPBDDPLO-UHFFFAOYSA-N
Synonyms

4TERTBUTYLPHENYL2(13DIOXOOCTAHYDRO2H47METHANOISOINDOL2YL)3PHENYLPROPANOATE
CC(C)(C)C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC28H31NO4c128(23)20111321(141220)3327(32)22(15177546817)2925(30)231891019(1618)24(23)26(29)31h48111418192224H9101516H213H3
MFCD03577224
ZINC000101719388
ZINC000239402814

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Available files

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