Vitas-M small molecule compound

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

Catalog ID
STK286511
SMILES COC(=O)c1ccc(cc1)OC(=O)c1ccc(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 C24H19NO6 MW 417.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19NO6/c1-30-23(28)13-6-10-18(11-7-13)31-24(29)14-4-8-17(9-5-14)25-21(26)19-15-2-3-16(12-15)20(19)22(25)27/h2-11,15-16,19-20H,12H2,1H3
InChIKey
VTHOUJVCQKTTRK-UHFFFAOYSA-N
Synonyms

4(methoxycarbonyl)phenyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC24H19NO6c13023(28)1361018(11713)3124(29)144817(9514)2521(26)19152316(1215)20(19)22(25)27h21115161920H12H21H3
MFCD03577427
ZINC000100963816
ZINC000101904687

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Available files

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