Vitas-M small molecule compound
1-bromo-17-[4-(pyridin-4-ylmethyl)phenyl]-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
STK268675
SMILES O=C1N(c2ccc(cc2)Cc2ccncc2)C(=O)C2C1C1c3ccccc3C2(c2c1cccc2)Br
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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 C30H21BrN2O2 MW 521.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21BrN2O2/c31-30-23-7-3-1-5-21(23)25(22-6-2-4-8-24(22)30)26-27(30)29(35)33(28(26)34)20-11-9-18(10-12-20)17-19-13-15-32-16-14-19/h1-16,25-27H,17H2InChIKey
KWIBWNXYVYDOED-UHFFFAOYSA-NSynonyms
1bromo17(4(pyridin4ylmethyl)phenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=CC=C(C=C6)CC7=CC=NC=C7
InChI=1SC30H21BrN2O2c313023731521(23)25(22624824(22)30)2627(30)29(35)33(28(26)34)2011918(101220)1719131532161419h1162527H17H2
MFCD01174881
ZINC000004046114
ZINC000004046118
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