Vitas-M small molecule compound

methyl 4-({[4-(3-fluorobenzyl)piperazin-1-yl]carbonyl}amino)benzoate

Catalog ID
STK489135
SMILES COC(=O)c1ccc(cc1)NC(=O)N1CCN(CC1)Cc1cccc(c1)F

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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 C20H22FN3O3 MW 371.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN3O3/c1-27-19(25)16-5-7-18(8-6-16)22-20(26)24-11-9-23(10-12-24)14-15-3-2-4-17(21)13-15/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKey
PZFCBKFPCMAFPM-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC(=CC=C3)F
InChI=1SC20H22FN3O3c12719(25)165718(8616)2220(26)2411923(101224)141532417(21)1315h2813H91214H21H3(H2226)
methyl4(((4(3fluorobenzyl)piperazin1yl)carbonyl)amino)benzoate
methyl4((4((3fluorophenyl)methyl)piperazine1carbonyl)amino)benzoate
METHYL4((4((3FLUOROPHENYL)METHYL)PIPERAZINYL)CARBONYLAMINO)BENZOATE
MFCD09451915
ZINC000013746213
ZINC13746213

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.