Vitas-M small molecule compound
3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl (3,4-dimethylphenoxy)acetate
Catalog ID
STK269280
SMILES O=C(Oc1cccc(c1)N1C(=O)C2C(C1=O)C1CC2CC1)COc1ccc(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 C25H25NO5 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25NO5/c1-14-6-9-19(10-15(14)2)30-13-21(27)31-20-5-3-4-18(12-20)26-24(28)22-16-7-8-17(11-16)23(22)25(26)29/h3-6,9-10,12,16-17,22-23H,7-8,11,13H2,1-2H3InChIKey
RHRCCRAGKNKFEK-UHFFFAOYSA-NSynonyms
3(13dioxooctahydro2H47methanoisoindol2yl)phenyl(34dimethylphenoxy)acetate
CC1=C(C=C(C=C1)OCC(=O)OC2=CC=CC(=C2)N3C(=O)C4C5CCC(C5)C4C3=O)C
InChI=1SC25H25NO5c1146919(1015(14)2)301321(27)312053418(1220)2624(28)22167817(1116)23(22)25(26)29h369101216172223H781113H212H3
MFCD02207455
ZINC000100744527
ZINC000102636834
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