Vitas-M small molecule compound
3,3-dimethyl-2-oxobutyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK275591
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1)OCC(=O)C(C)(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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-22(2,3)16(24)11-28-21(27)12-6-8-15(9-7-12)23-19(25)17-13-4-5-14(10-13)18(17)20(23)26/h4-9,13-14,17-18H,10-11H2,1-3H3InChIKey
VDKOGNUUZLMWFL-UHFFFAOYSA-NSynonyms
33dimethyl2oxobutyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC(C)(C)C(=O)COC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI=1SC22H23NO5c122(23)16(24)112821(27)126815(9712)2319(25)17134514(1013)18(17)20(23)26h4913141718H1011H213H3
MFCD03037771
ZINC000101227152
ZINC000102084653
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