Vitas-M small molecule compound

quinolin-8-yl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate

Catalog ID
STK286537
SMILES O=C1N(c2cccc(c2)C(=O)Oc2cccc3c2nccc3)C(=O)C2C1C1C=CC2C2C1C2

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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 C27H20N2O4 MW 436.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20N2O4/c30-25-22-17-9-10-18(20-13-19(17)20)23(22)26(31)29(25)16-7-1-5-15(12-16)27(32)33-21-8-2-4-14-6-3-11-28-24(14)21/h1-12,17-20,22-23H,13H2
InChIKey
MAPLVLOABLTMIV-UHFFFAOYSA-N
Synonyms

C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)OC6=CC=CC7=C6N=CC=C7
InChI=1SC27H20N2O4c3025221791018(201319(17)20)23(22)26(31)29(25)1671515(1216)27(32)33218241463112824(14)21h11217202223H13H2
MFCD03578048
quinolin8yl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
ZINC000245377519
ZINC000245377522

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Available files

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