Vitas-M small molecule compound

2-({(E)-[17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}amino)benzoic acid (non-preferred name)

Catalog ID
STK670789
SMILES CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(/C=N/c3ccccc3C(=O)O)c3c(C2c2c1cccc2)cccc3

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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 C34H26N2O5 MW 542.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H26N2O5/c1-2-41-21-17-15-20(16-18-21)36-31(37)29-28-22-9-3-6-12-25(22)34(30(29)32(36)38,26-13-7-4-10-23(26)28)19-35-27-14-8-5-11-24(27)33(39)40/h3-19,28-30H,2H2,1H3,(H,39,40)/b35-19+
InChIKey
WGMXUWPLROIYEX-XZYGTATASA-N
Synonyms

2(((E)(17(4ethoxyphenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen1yl)methylidene)amino)benzoicacid(nonpreferredname)
CCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1(C=Nc3ccccc3C(=O)O)c3c(C2c2c1cccc2)cccc3
MFCD00746188
ZINC000001434052
ZINC000100039626

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Available files

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