Vitas-M small molecule compound
1-(4-methylphenyl)-1-oxopropan-2-yl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxylate
Catalog ID
STK274608
SMILES CC(C(=O)c1ccc(cc1)C)OC(=O)C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2C=C1
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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 C26H29NO5 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5/c1-14-3-5-16(6-4-14)23(28)15(2)32-26(31)17-9-11-20(12-10-17)27-24(29)21-18-7-8-19(13-18)22(21)25(27)30/h3-8,15,17-22H,9-13H2,1-2H3InChIKey
HLUBXJFSDFLVPW-UHFFFAOYSA-NSynonyms
1(4methylphenyl)1oxopropan2yl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)cyclohexanecarboxylate
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCC(CC2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC26H29NO5c1143516(6414)23(28)15(2)3226(31)1791120(121017)2724(29)21187819(1318)22(21)25(27)30h38151722H913H212H3
MFCD02870878
ZINC000100619282
ZINC000239090932
Check stock
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Check stock on Vitas-MAvailable files
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