Vitas-M small molecule compound

methyl 4-{[(1,3-dioxo-5-phenyloctahydro-2H-4,7-methanoisoindol-2-yl)acetyl]amino}benzoate

Catalog ID
STL570924
SMILES COC(=O)c1ccc(cc1)NC(=O)CN1C(=O)C2C(C1=O)C1CC2C(C1)c1ccccc1

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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 C25H24N2O5 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O5/c1-32-25(31)15-7-9-17(10-8-15)26-20(28)13-27-23(29)21-16-11-18(14-5-3-2-4-6-14)19(12-16)22(21)24(27)30/h2-10,16,18-19,21-22H,11-13H2,1H3,(H,26,28)
InChIKey
WCRQSCXWTPREOC-UHFFFAOYSA-N
Synonyms

2966776
InChI=1SC25H24N2O5c13225(31)157917(10815)2620(28)132723(29)21161118(145324614)19(1216)22(21)24(27)30h2101618192122H1113H21H3(H2628)
methyl4(((13dioxo5phenyloctahydro2H47methanoisoindol2yl)acetyl)amino)benzoate
methyl4((2(35dioxo8phenyl4azatricyclo(521026)decan4yl)acetyl)amino)benzoate
MFCD06001026
ZINC000100271199
ZINC000247861074

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Available files

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