Vitas-M small molecule compound

4-benzylphenyl 4-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoate

Catalog ID
STK286527
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)CCCC2)Oc1ccc(cc1)Cc1ccccc1

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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 C28H25NO4 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO4/c30-26-24-8-4-5-9-25(24)27(31)29(26)22-14-12-21(13-15-22)28(32)33-23-16-10-20(11-17-23)18-19-6-2-1-3-7-19/h1-3,6-7,10-17,24-25H,4-5,8-9,18H2
InChIKey
PZAQEQGFNKOLDD-UHFFFAOYSA-N
Synonyms

(4benzylphenyl)4(13dioxo3a45677ahexahydroisoindol2yl)benzoate
4benzylphenyl4(13dioxooctahydro2Hisoindol2yl)benzoate
C1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)CC5=CC=CC=C5
InChI=1SC28H25NO4c302624845925(24)27(31)29(26)22141221(131522)28(32)3323161020(111723)18196213719h136710172425H458918H2
MFCD03577512
ZINC000017988255
ZINC000102643722

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Available files

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