Vitas-M small molecule compound

ethyl 4-(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)benzoate (non-preferred name)

Catalog ID
STK268343
SMILES CCOC(=O)c1ccc(cc1)N1C(=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 C27H19Br2NO4 MW 581.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19Br2NO4/c1-2-34-25(33)15-11-13-16(14-12-15)30-23(31)21-22(24(30)32)27(29)18-8-4-3-7-17(18)26(21,28)19-9-5-6-10-20(19)27/h3-14,21-22H,2H2,1H3
InChIKey
KOIBAVBRYPIIGV-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
ethyl4(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)benzoate(nonpreferredname)
InChI=1SC27H19Br2NO4c123425(33)15111316(141215)3023(31)2122(24(30)32)27(29)18843717(18)26(2128)199561020(19)27h3142122H2H21H3
MFCD01138211
ZINC000002068026
ZINC000002068029

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Available files

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