Vitas-M small molecule compound
methyl 2-(1-bromo-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
STK246627
SMILES COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1(Br)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 C26H18BrNO4 MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrNO4/c1-32-25(31)16-10-4-7-13-19(16)28-23(29)21-20-14-8-2-5-11-17(14)26(27,22(21)24(28)30)18-12-6-3-9-15(18)20/h2-13,20-22H,1H3InChIKey
IHFRKPSUZWYUCM-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC26H18BrNO4c13225(31)1610471319(16)2823(29)2120148251117(14)26(2722(21)24(28)30)181263915(18)20h2132022H1H3
methyl2(1bromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
MFCD01179524
ZINC000002060782
ZINC000002060785
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Check stock on Vitas-MAvailable files
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