Vitas-M small molecule compound
4-acetylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Catalog ID
STK381176
SMILES O=C(Oc1ccc(cc1)C(=O)C)CN1C(=O)C2C(C1=O)C1C=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 C21H19NO5 MW 365.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5/c1-10(23)11-2-4-12(5-3-11)27-17(24)9-22-20(25)18-13-6-7-14(16-8-15(13)16)19(18)21(22)26/h2-7,13-16,18-19H,8-9H2,1H3InChIKey
WPXOSXRZINNFBH-UHFFFAOYSA-NSynonyms
4acetylphenyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
CC(=O)C1=CC=C(C=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC21H19NO5c110(23)112412(5311)2717(24)92220(25)18136714(16815(13)16)19(18)21(22)26h2713161819H89H21H3
MFCD02314544
ZINC000239235752
ZINC000239235755
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