Vitas-M small molecule compound
17-(2-bromo-4-methylphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid (non-preferred name)
Catalog ID
STK325789
SMILES Cc1ccc(c(c1)Br)N1C(=O)C2C(C1=O)C1(C(=O)O)c3c(C2c2c1cccc2)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 C26H18BrNO4 MW 488.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18BrNO4/c1-13-10-11-19(18(27)12-13)28-23(29)21-20-14-6-2-4-8-16(14)26(25(31)32,22(21)24(28)30)17-9-5-3-7-15(17)20/h2-12,20-22H,1H3,(H,31,32)InChIKey
WZVIOFSPWODMMR-UHFFFAOYSA-NSynonyms
17(2bromo4methylphenyl)1618dioxo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1carboxylicacid(nonpreferredname)
CC1=CC(=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)C(=O)O)Br
InChI=1SC26H18BrNO4c113101119(18(27)1213)2823(29)212014624816(14)26(25(31)3222(21)24(28)30)17953715(17)20h2122022H1H3(H3132)
MFCD01593980
ZINC000000849909
ZINC000000849912
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