Vitas-M small molecule compound
5-methyl-2-(propan-2-yl)phenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK274762
SMILES Cc1ccc(c(c1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1)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 C26H25NO4 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4/c1-14(2)20-10-7-15(3)11-21(20)31-26(30)18-5-4-6-19(13-18)27-24(28)22-16-8-9-17(12-16)23(22)25(27)29/h4-11,13-14,16-17,22-23H,12H2,1-3H3InChIKey
TZXPQXKEBGMTJM-UHFFFAOYSA-NSynonyms
5METHYL2(1METHYLETHYL)PHENYL3(13DIOXO133A477AHEXAHYDRO2H47METHANOISOINDOL2YL)BENZOATE
5methyl2(propan2yl)phenyl3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC26H25NO4c114(2)2010715(3)1121(20)3126(30)1854619(1318)2724(28)22168917(1216)23(22)25(27)29h411131416172223H12H213H3
MFCD03165138
ZINC000102531948
ZINC000102635633
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