Vitas-M small molecule compound

methyl 4-{[2-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)-3-phenylpropanoyl]oxy}benzoate

Catalog ID
STK359366
SMILES COC(=O)c1ccc(cc1)OC(=O)C(N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)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 C28H25NO6 MW 471.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25NO6/c1-34-27(32)16-7-9-17(10-8-16)35-28(33)22(13-15-5-3-2-4-6-15)29-25(30)23-18-11-12-19(21-14-20(18)21)24(23)26(29)31/h2-12,18-24H,13-14H2,1H3
InChIKey
DDMTUPXFNJMGRU-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)OC(=O)C(CC2=CC=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC28H25NO6c13427(32)167917(10816)3528(33)22(13155324615)2925(30)2318111219(211420(18)21)24(23)26(29)31h2121824H1314H21H3
methyl4((2(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)3phenylpropanoyl)oxy)benzoate
MFCD02314677
ZINC000239038421
ZINC000239038424

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Available files

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