Vitas-M small molecule compound

2,5-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate

Catalog ID
STK258567
SMILES O=C(Oc1cc(C)ccc1C)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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-10-3-4-11(2)16(7-10)26-17(23)9-22-20(24)18-12-5-6-13(15-8-14(12)15)19(18)21(22)25/h3-7,12-15,18-19H,8-9H2,1-2H3
InChIKey
SJCIZKUCFPDIBY-UHFFFAOYSA-N
Synonyms

25dimethylphenyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
CC1=CC(=C(C=C1)C)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI=1SC21H21NO4c1103411(2)16(710)2617(23)92220(24)18125613(15814(12)15)19(18)21(22)25h3712151819H89H212H3
MFCD03578132
ZINC000239203414
ZINC000239203417

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Available files

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