Vitas-M small molecule compound

methyl {[2-(4-fluorobenzyl)-3-oxo-2,3,4,5,6,7-hexahydro-1H-isoindol-1-yl]amino}(3-methoxyphenyl)acetate

Catalog ID
STK000215
SMILES COC(=O)C(c1cccc(c1)OC)NC1C2=C(C(=O)N1Cc1ccc(cc1)F)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 C25H27FN2O4 MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN2O4/c1-31-19-7-5-6-17(14-19)22(25(30)32-2)27-23-20-8-3-4-9-21(20)24(29)28(23)15-16-10-12-18(26)13-11-16/h5-7,10-14,22-23,27H,3-4,8-9,15H2,1-2H3
InChIKey
YAFVFQOVUCDTMT-UHFFFAOYSA-N
Synonyms

COC(=O)C(c1cccc(c1)OC)NC1C2=C(C(=O)N1Cc1ccc(cc1)F)CCCC2
COC1=CC=CC(=C1)C(C(=O)OC)NC2C3=C(CCCC3)C(=O)N2CC4=CC=C(C=C4)F
InChI=1SC25H27FN2O4c1311975617(1419)22(25(30)322)272320834921(20)24(29)28(23)1516101218(26)131116h571014222327H348915H212H3
methyl((2(4fluorobenzyl)3oxo234567hexahydro1Hisoindol1yl)amino)(3methoxyphenyl)acetate
methyl2((2((4fluorophenyl)methyl)3oxo4567tetrahydro1Hisoindol1yl)amino)2(3methoxyphenyl)acetate
MFCD11850896
STK000215
ZINC000019798064
ZINC000019798070

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Available files

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