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-methylbutanoic acid (non-preferred name)
Catalog ID
STK268460
SMILES CC(C(N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)C(=O)O)C
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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 C23H19Br2NO4 MW 533.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Br2NO4/c1-11(2)18(21(29)30)26-19(27)16-17(20(26)28)23(25)13-8-4-3-7-12(13)22(16,24)14-9-5-6-10-15(14)23/h3-11,16-18H,1-2H3,(H,29,30)InChIKey
FBKIUUKPRWAUMF-UHFFFAOYSA-NSynonyms
2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)3methylbutanoicacid(nonpreferredname)
CC(C)C(C(=O)O)N1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI=1SC23H19Br2NO4c111(2)18(21(29)30)2619(27)1617(20(26)28)23(25)13843712(13)22(1624)149561015(14)23h3111618H12H3(H2930)
MFCD01156486
ZINC000002068096
ZINC000239038852
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