Vitas-M small molecule compound

methyl 4-(4-benzylpiperazin-1-yl)-3-{[(2-fluorophenyl)carbonyl]amino}benzoate

Catalog ID
STK195189
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1ccccc1F)N1CCN(CC1)Cc1ccccc1

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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 C26H26FN3O3 MW 447.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26FN3O3/c1-33-26(32)20-11-12-24(23(17-20)28-25(31)21-9-5-6-10-22(21)27)30-15-13-29(14-16-30)18-19-7-3-2-4-8-19/h2-12,17H,13-16,18H2,1H3,(H,28,31)
InChIKey
QTLAIUVXDUBBNI-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4F
InChI=1SC26H26FN3O3c13326(32)20111224(23(1720)2825(31)219561022(21)27)30151329(141630)18197324819h21217H131618H21H3(H2831)
METHYL4(4BENZYLPIPERAZIN1YL)3(((2FLUOROPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((2fluorobenzoyl)amino)benzoate
MFCD06665653
ZINC000057222807
ZINC57222807

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Available files

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