Vitas-M small molecule compound

4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl acetate

Catalog ID
STK088745
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1

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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 C17H15NO4 MW 297.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO4/c1-9(19)22-13-6-4-12(5-7-13)18-16(20)14-10-2-3-11(8-10)15(14)17(18)21/h2-7,10-11,14-15H,8H2,1H3
InChIKey
RNCUXXBHUIJUFX-UHFFFAOYSA-N
Synonyms

4(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)PHENYLACETATE
CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1
InChI=1SC17H15NO4c19(19)22136412(5713)1816(20)14102311(810)15(14)17(18)21h2710111415H8H21H3
MFCD00402003
STK088745
ZINC000100301346
ZINC000101114111

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Available files

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