Vitas-M small molecule compound
2-[3,5-dimethyl-1-(3-phenoxybenzyl)-1H-pyrazol-4-yl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK315115
SMILES O=C1C2C3C=CC(C2C(=O)N1c1c(C)nn(c1C)Cc1cccc(c1)Oc1ccccc1)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 C27H25N3O3 MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O3/c1-16-25(30-26(31)23-19-11-12-20(14-19)24(23)27(30)32)17(2)29(28-16)15-18-7-6-10-22(13-18)33-21-8-4-3-5-9-21/h3-13,19-20,23-24H,14-15H2,1-2H3InChIKey
HCEUSCFZBUZVRP-UHFFFAOYSA-NSynonyms
1052556-64-51052556645
2(35dimethyl1(3phenoxybenzyl)1Hpyrazol4yl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=C(C(=NN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C)N4C(=O)C5C6CC(C5C4=O)C=C6
InChI=1SC27H25N3O3c11625(3026(31)2319111220(1419)24(23)27(30)32)17(2)29(2816)1518761022(1318)33218435921h31319202324H1415H212H3
MFCD08554359
ZINC000102023378
ZINC000239308970
Check stock
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Check stock on Vitas-MAvailable files
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