Vitas-M small molecule compound
2-(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)-3-phenylpropanoic acid (non-preferred name)
Catalog ID
STK252806
SMILES OC(=O)C(N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)Cc1ccccc1
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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/c28-26-16-10-4-5-11-17(16)27(29,19-13-7-6-12-18(19)26)22-21(26)23(31)30(24(22)32)20(25(33)34)14-15-8-2-1-3-9-15/h1-13,20-22H,14H2,(H,33,34)InChIKey
UAJHNGQVUHKCIZ-UHFFFAOYSA-NSynonyms
2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)3phenylpropanoicacid(nonpreferredname)
C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC27H19Br2NO4c28261610451117(16)27(291913761218(19)26)2221(26)23(31)30(24(22)32)20(25(33)34)14158213915h1132022H14H2(H3334)
MFCD02189146
ZINC000097948559
ZINC000239415228
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