Vitas-M small molecule compound

methyl 4-(4-benzylpiperazin-1-yl)-3-{[(4-ethylphenoxy)acetyl]amino}benzoate

Catalog ID
STK195201
SMILES COC(=O)c1ccc(c(c1)NC(=O)COc1ccc(cc1)CC)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 C29H33N3O4 MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O4/c1-3-22-9-12-25(13-10-22)36-21-28(33)30-26-19-24(29(34)35-2)11-14-27(26)32-17-15-31(16-18-32)20-23-7-5-4-6-8-23/h4-14,19H,3,15-18,20-21H2,1-2H3,(H,30,33)
InChIKey
FBEJIVMHRHIBOJ-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC29H33N3O4c132291225(131022)362128(33)30261924(29(34)352)111427(26)32171531(161832)20237546823h41419H315182021H212H3(H3033)
METHYL4(4BENZYLPIPERAZIN1YL)3(((4ETHYLPHENOXY)ACETYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((2(4ethylphenoxy)acetyl)amino)benzoate
MFCD06665665
ZINC000057222847
ZINC57222847

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Available files

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