Vitas-M small molecule compound
1-bromo-17-(3-methylphenyl)-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
STK358751
SMILES Cc1cccc(c1)N1C(=O)C2C(C1=O)C1(Br)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 C25H18BrNO2 MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18BrNO2/c1-14-7-6-8-15(13-14)27-23(28)21-20-16-9-2-4-11-18(16)25(26,22(21)24(27)29)19-12-5-3-10-17(19)20/h2-13,20-22H,1H3InChIKey
IVKLTXNLNLZXFR-UHFFFAOYSA-NSynonyms
1bromo17(3methylphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC(=CC=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)Br
InChI=1SC25H18BrNO2c11476815(1314)2723(28)2120169241118(16)25(2622(21)24(27)29)1912531017(19)20h2132022H1H3
MFCD00345771
ZINC000003062934
ZINC000004015827
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