Vitas-M small molecule compound
benzyl (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
STK268574
SMILES O=C(CN1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)OCc1ccccc1
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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 C27H19Br2NO4 MW 581.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Br2NO4/c28-26-17-10-4-5-11-18(17)27(29,20-13-7-6-12-19(20)26)23-22(26)24(32)30(25(23)33)14-21(31)34-15-16-8-2-1-3-9-16/h1-13,22-23H,14-15H2InChIKey
UOHRVWHYAWIZTB-UHFFFAOYSA-NSynonyms
benzyl(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)acetate(nonpreferredname)
C1=CC=C(C=C1)COC(=O)CN2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC27H19Br2NO4c28261710451118(17)27(292013761219(20)26)2322(26)24(32)30(25(23)33)1421(31)3415168213916h1132223H1415H2
MFCD01174537
ZINC000002068345
ZINC000002068348
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