Vitas-M small molecule compound
17-(4-bromo-2-nitrophenyl)-1-methyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (non-preferred name)
Catalog ID
STL387071
SMILES Brc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(C)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 C25H17BrN2O4 MW 489.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrN2O4/c1-25-16-8-4-2-6-14(16)20(15-7-3-5-9-17(15)25)21-22(25)24(30)27(23(21)29)18-11-10-13(26)12-19(18)28(31)32/h2-12,20-22H,1H3InChIKey
GDCOIAAFAQJRNE-UHFFFAOYSA-NSynonyms
17(4bromo2nitrophenyl)1methyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
Brc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C)c3c(C2c2c1cccc2)cccc3
CC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=C(C=C(C=C6)Br)(N+)(=O)(O)
InChI=1SC25H17BrN2O4c12516842614(16)20(15735917(15)25)2122(25)24(30)27(23(21)29)18111013(26)1219(18)28(31)32h2122022H1H3
MFCD01170962
ZINC000006232796
ZINC000006232838
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