Vitas-M small molecule compound

methyl 4-(4-benzylpiperazin-1-yl)-3-{[(2,6-dimethoxyphenyl)carbonyl]amino}benzoate

Catalog ID
STK195187
SMILES COC(=O)c1ccc(c(c1)NC(=O)c1c(OC)cccc1OC)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 C28H31N3O5 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O5/c1-34-24-10-7-11-25(35-2)26(24)27(32)29-22-18-21(28(33)36-3)12-13-23(22)31-16-14-30(15-17-31)19-20-8-5-4-6-9-20/h4-13,18H,14-17,19H2,1-3H3,(H,29,32)
InChIKey
JFGNCLBNYVXGLG-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC=C1)OC)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4
InChI=1SC28H31N3O5c134241071125(352)26(24)27(32)29221821(28(33)363)121323(22)31161430(151731)19208546920h41318H141719H213H3(H2932)
METHYL4(4BENZYLPIPERAZIN1YL)3(((26DIMETHOXYPHENYL)CARBONYL)AMINO)BENZOATE
methyl4(4benzylpiperazin1yl)3((26dimethoxybenzoyl)amino)benzoate
MFCD06665651
ZINC000057222806
ZINC57222806

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Available files

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