Vitas-M small molecule compound

17-(4-bromo-2-nitrophenyl)-1,8-dimethyl-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
STK258090
SMILES Brc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)c2c1cccc2)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 C26H19BrN2O4 MW 503.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19BrN2O4/c1-25-15-7-3-5-9-17(15)26(2,18-10-6-4-8-16(18)25)22-21(25)23(30)28(24(22)31)19-12-11-14(27)13-20(19)29(32)33/h3-13,21-22H,1-2H3
InChIKey
PPBYQEBXORGYAT-UHFFFAOYSA-N
Synonyms

17(4bromo2nitrophenyl)18dimethyl17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
Brc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1(C)c3c(C2(C)c2c1cccc2)cccc3
CC12C3C(C(=O)N(C3=O)C4=C(C=C(C=C4)Br)(N+)(=O)(O))C(C5=CC=CC=C51)(C6=CC=CC=C26)C
InChI=1SC26H19BrN2O4c12515735917(15)26(2181064816(18)25)2221(25)23(30)28(24(22)31)19121114(27)1320(19)29(32)33h3132122H12H3
MFCD03037016
ZINC000008722266
ZINC000015944844

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Available files

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