Vitas-M small molecule compound
4-(2-methylbutan-2-yl)phenyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK286525
SMILES CCC(c1ccc(cc1)OC(=O)c1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1)(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 C27H27NO4 MW 429.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO4/c1-4-27(2,3)19-10-12-21(13-11-19)32-26(31)18-6-5-7-20(15-18)28-24(29)22-16-8-9-17(14-16)23(22)25(28)30/h5-13,15-17,22-23H,4,14H2,1-3H3InChIKey
TWUJKUHHYLPPTB-UHFFFAOYSA-NSynonyms
4(2methylbutan2yl)phenyl3(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC27H27NO4c1427(23)19101221(131119)3226(31)1865720(1518)2824(29)22168917(1416)23(22)25(28)30h51315172223H414H213H3
MFCD03274235
ZINC000102518596
ZINC000102641087
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