Vitas-M small molecule compound
2-{2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}-5-methyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK358859
SMILES O=C(c1ccc(c(c1)C)C)COc1ccccc1N1C(=O)C2C(C1=O)C1CC2C=C1C
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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 C26H25NO4 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4/c1-14-8-9-17(10-15(14)2)21(28)13-31-22-7-5-4-6-20(22)27-25(29)23-18-11-16(3)19(12-18)24(23)26(27)30/h4-11,18-19,23-24H,12-13H2,1-3H3InChIKey
JFOZQNBAAKVSPT-UHFFFAOYSA-NSynonyms
2(2(2(34dimethylphenyl)2oxoethoxy)phenyl)5methyl3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C=C(C=C1)C(=O)COC2=CC=CC=C2N3C(=O)C4C5CC(C4C3=O)C(=C5)C)C
InChI=1SC26H25NO4c1148917(1015(14)2)21(28)133122754620(22)2725(29)23181116(3)19(1218)24(23)26(27)30h41118192324H1213H213H3
MFCD03165522
ZINC000102083170
ZINC000104560413
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