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)-4-(methylsulfanyl)butanoic acid (non-preferred name)
Catalog ID
STK258743
SMILES CSCCC(N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)c2c1cccc2)cccc3)C(=O)O
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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 C23H19Br2NO4S MW 565.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Br2NO4S/c1-31-11-10-16(21(29)30)26-19(27)17-18(20(26)28)23(25)13-7-3-2-6-12(13)22(17,24)14-8-4-5-9-15(14)23/h2-9,16-18H,10-11H2,1H3,(H,29,30)InChIKey
XHBFJDVSTOLTAS-UHFFFAOYSA-NSynonyms
2(18dibromo1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaen17yl)4(methylsulfanyl)butanoicacid(nonpreferredname)
CSCCC(C(=O)O)N1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br
InChI=1SC23H19Br2NO4Sc131111016(21(29)30)2619(27)1718(20(26)28)23(25)13732612(13)22(1724)14845915(14)23h291618H1011H21H3(H2930)
MFCD08097473
ZINC000098042684
ZINC000245312798
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