Vitas-M small molecule compound
2-(4-methylphenyl)-2-oxoethyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxylate
Catalog ID
STK274607
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2C=C1)OCC(=O)c1ccc(cc1)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 C25H27NO5 MW 421.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO5/c1-14-2-4-15(5-3-14)20(27)13-31-25(30)16-8-10-19(11-9-16)26-23(28)21-17-6-7-18(12-17)22(21)24(26)29/h2-7,16-19,21-22H,8-13H2,1H3InChIKey
RMSOVSYXAQZWFU-UHFFFAOYSA-NSynonyms
2(4methylphenyl)2oxoethyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)cyclohexanecarboxylate
CC1=CC=C(C=C1)C(=O)COC(=O)C2CCC(CC2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC25H27NO5c1142415(5314)20(27)133125(30)1681019(11916)2623(28)21176718(1217)22(21)24(26)29h2716192122H813H21H3
MFCD02870874
ZINC000101228703
ZINC000102637602
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