Vitas-M small molecule compound
ethyl 2-(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
STL387126
SMILES CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1c3c(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 C27H21NO4 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO4/c1-2-32-27(31)19-13-7-8-14-20(19)28-25(29)23-21-15-9-3-4-10-16(15)22(24(23)26(28)30)18-12-6-5-11-17(18)21/h3-14,21-24H,2H2,1H3InChIKey
AGBWILYEKMTHSZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
ethyl2(1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC27H21NO4c123227(31)1913781420(19)2825(29)2321159341016(15)22(24(23)26(28)30)1812651117(18)21h3142124H2H21H3
MFCD01362138
ZINC000001155905
ZINC000018285636
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