Vitas-M small molecule compound
ethyl 4-[1,3-dioxo-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-dihydro-2H-isoindol-2-yl]benzoate
Catalog ID
STK073999
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C12CC3CC(C2)CC(C1)C3
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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 C27H27NO4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4/c1-2-32-26(31)19-3-6-21(7-4-19)28-24(29)22-8-5-20(12-23(22)25(28)30)27-13-16-9-17(14-27)11-18(10-16)15-27/h3-8,12,16-18H,2,9-11,13-15H2,1H3InChIKey
UVTXTNPSQAMDSE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C45CC6CC(C4)CC(C6)C5
CCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C12CC3CC(C2)CC(C1)C3
ethyl4(13dioxo5(tricyclo(3311~37~)dec1yl)13dihydro2Hisoindol2yl)benzoate
ETHYL4(5(1ADAMANTYL)13DIOXOISOINDOL2YL)BENZOATE
InChI=1SC27H27NO4c123226(31)193621(7419)2824(29)228520(1223(22)25(28)30)271316917(1427)1118(1016)1527h38121618H29111315H21H3
MFCD03725680
STK073999
ZINC000009659565
ZINC09659565
ZINC9659565
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