Vitas-M small molecule compound
ethyl 2-(1-methyl-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-17-yl)benzoate (non-preferred name)
Catalog ID
STL387119
SMILES CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1(C)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 C28H23NO4 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO4/c1-3-33-27(32)18-12-6-9-15-21(18)29-25(30)23-22-16-10-4-7-13-19(16)28(2,24(23)26(29)31)20-14-8-5-11-17(20)22/h4-15,22-24H,3H2,1-2H3InChIKey
WUUMRXLAYWDUKN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C
ethyl2(1methyl1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC28H23NO4c133327(32)1812691521(18)2925(30)23221610471319(16)28(224(23)26(29)31)2014851117(20)22h4152224H3H212H3
MFCD02220786
ZINC000002967498
ZINC000002967503
Check stock
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Check stock on Vitas-MAvailable files
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