Vitas-M small molecule compound
2-acetylphenyl 3-(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)benzoate
Catalog ID
STK286540
SMILES O=C(c1cccc(c1)N1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Oc1ccccc1C(=O)C
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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 C26H21NO5 MW 427.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21NO5/c1-13(28)16-7-2-3-8-21(16)32-26(31)14-5-4-6-15(11-14)27-24(29)22-17-9-10-18(20-12-19(17)20)23(22)25(27)30/h2-11,17-20,22-23H,12H2,1H3InChIKey
PFCCQGBPUASYFH-UHFFFAOYSA-NSynonyms
2acetylphenyl3(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)benzoate
CC(=O)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI=1SC26H21NO5c113(28)16723821(16)3226(31)1454615(1114)2724(29)221791018(201219(17)20)23(22)25(27)30h21117202223H12H21H3
MFCD03578053
ZINC000239174063
ZINC000239174066
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