Vitas-M small molecule compound
17-(2-ethoxyphenyl)-1-{(E)-[(4-ethylphenyl)imino]methyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STK756227
SMILES CCOc1ccccc1N1C(=O)C2C(C1=O)C1(/C=N/c3ccc(cc3)CC)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 C35H30N2O3 MW 526.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N2O3/c1-3-22-17-19-23(20-18-22)36-21-35-26-13-7-5-11-24(26)30(25-12-6-8-14-27(25)35)31-32(35)34(39)37(33(31)38)28-15-9-10-16-29(28)40-4-2/h5-21,30-32H,3-4H2,1-2H3/b36-21+InChIKey
RTEUEDCLLRKRJV-QLQYKETESA-NSynonyms
17(2ethoxyphenyl)1((E)((4ethylphenyl)imino)methyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CCOc1ccccc1N1C(=O)C2C(C1=O)C1(C=Nc3ccc(cc3)CC)c3c(C2c2c1cccc2)cccc3
MFCD01230489
ZINC000003663851
ZINC000015162784
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