Vitas-M small molecule compound
ethyl (1,8-dibromo-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)acetate (non-preferred name)
Catalog ID
STK268450
SMILES CCOC(=O)CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)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 C22H17Br2NO4 MW 519.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17Br2NO4/c1-2-29-16(26)11-25-19(27)17-18(20(25)28)22(24)13-8-4-3-7-12(13)21(17,23)14-9-5-6-10-15(14)22/h3-10,17-18H,2,11H2,1H3InChIKey
ODQYFUXNJBTGBK-UHFFFAOYSA-NSynonyms
CCOC(=O)CN1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
ethyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
InChI=1SC22H17Br2NO4c122916(26)112519(27)1718(20(25)28)22(24)13843712(13)21(1723)149561015(14)22h3101718H211H21H3
MFCD01156475
ZINC000002068173
ZINC000004173630
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