Vitas-M small molecule compound
3-{[4-(benzyloxy)phenyl]amino}-2-(4-fluorobenzyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1-one
Catalog ID
STK058022
SMILES Fc1ccc(cc1)CN1C(Nc2ccc(cc2)OCc2ccccc2)C2=C(C1=O)CCCC2
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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 C28H27FN2O2 MW 442.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O2/c29-22-12-10-20(11-13-22)18-31-27(25-8-4-5-9-26(25)28(31)32)30-23-14-16-24(17-15-23)33-19-21-6-2-1-3-7-21/h1-3,6-7,10-17,27,30H,4-5,8-9,18-19H2InChIKey
QZKGCLOEOZFLFE-UHFFFAOYSA-NSynonyms
2((4fluorophenyl)methyl)3(4phenylmethoxyanilino)4567tetrahydro3Hisoindol1one
3((4(benzyloxy)phenyl)amino)2(4fluorobenzyl)234567hexahydro1Hisoindol1one
C1CCC2=C(C1)C(N(C2=O)CC3=CC=C(C=C3)F)NC4=CC=C(C=C4)OCC5=CC=CC=C5
Fc1ccc(cc1)CN1C(Nc2ccc(cc2)OCc2ccccc2)C2=C(C1=O)CCCC2
InChI=1SC28H27FN2O2c2922121020(111322)183127(25845926(25)28(31)32)3023141624(171523)3319216213721h136710172730H45891819H2
MFCD08051412
STK058022
ZINC000009520015
ZINC000009520016
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