Vitas-M small molecule compound
2-(3-{[1-(4-methylphenyl)-1-oxopropan-2-yl]oxy}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK274831
SMILES Cc1ccc(cc1)C(=O)C(Oc1cccc(c1)N1C(=O)C2C(C1=O)C1CC2C=C1)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 C25H23NO4 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23NO4/c1-14-6-8-16(9-7-14)23(27)15(2)30-20-5-3-4-19(13-20)26-24(28)21-17-10-11-18(12-17)22(21)25(26)29/h3-11,13,15,17-18,21-22H,12H2,1-2H3InChIKey
PJXPUPWAJMKDTG-UHFFFAOYSA-NSynonyms
2(3((1(4methylphenyl)1oxopropan2yl)oxy)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC=C(C=C1)C(=O)C(C)OC2=CC=CC(=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC25H23NO4c1146816(9714)23(27)15(2)302053419(1320)2624(28)2117101118(1217)22(21)25(26)29h311131517182122H12H212H3
MFCD03146284
ZINC000100921306
ZINC000239174155
Check stock
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Check stock on Vitas-MAvailable files
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