Vitas-M small molecule compound
3,4-dimethylphenyl (1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)acetate
Catalog ID
STK381175
SMILES O=C(CN1C(=O)C2C(C1=O)C1C=CC2C2C1C2)Oc1ccc(c(c1)C)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 C21H21NO4 MW 351.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO4/c1-10-3-4-12(7-11(10)2)26-17(23)9-22-20(24)18-13-5-6-14(16-8-15(13)16)19(18)21(22)25/h3-7,13-16,18-19H,8-9H2,1-2H3InChIKey
AVCUPLNPQLZSGA-UHFFFAOYSA-NSynonyms
34dimethylphenyl(13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)acetate
CC1=C(C=C(C=C1)OC(=O)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C
InChI=1SC21H21NO4c1103412(711(10)2)2617(23)92220(24)18135614(16815(13)16)19(18)21(22)25h3713161819H89H212H3
MFCD02314543
ZINC000239009551
ZINC000239009554
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