Vitas-M small molecule compound
4-tert-butylphenyl 3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK274747
SMILES O=C1N(c2cccc(c2)C(=O)Oc2ccc(cc2)C(C)(C)C)C(=O)C2C1C1CCC2C1
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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 C26H27NO4 MW 417.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO4/c1-26(2,3)18-9-11-20(12-10-18)31-25(30)17-5-4-6-19(14-17)27-23(28)21-15-7-8-16(13-15)22(21)24(27)29/h4-6,9-12,14-16,21-22H,7-8,13H2,1-3H3InChIKey
QHBMUUUFHBUIOX-UHFFFAOYSA-NSynonyms
4tertbutylphenyl3(13dioxooctahydro2H47methanoisoindol2yl)benzoate
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CCC(C5)C4C3=O
InChI=1SC26H27NO4c126(23)1891120(121018)3125(30)1754619(1417)2723(28)21157816(1315)22(21)24(27)29h4691214162122H7813H213H3
MFCD03165098
ZINC000100919415
ZINC000239174595
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