Vitas-M small molecule compound
1,8-dibromo-17-(4-methoxyphenyl)-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
STK268258
SMILES COc1ccc(cc1)N1C(=O)C2C(C1=O)C1(Br)c3c(C2(Br)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 C25H17Br2NO3 MW 539.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Br2NO3/c1-31-15-12-10-14(11-13-15)28-22(29)20-21(23(28)30)25(27)17-7-3-2-6-16(17)24(20,26)18-8-4-5-9-19(18)25/h2-13,20-21H,1H3InChIKey
YGTHTGLCDWHMPR-UHFFFAOYSA-NSynonyms
18dibromo17(4methoxyphenyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)Br)Br
InChI=1SC25H17Br2NO3c13115121014(111315)2822(29)2021(23(28)30)25(27)17732616(17)24(2026)18845919(18)25h2132021H1H3
MFCD00338245
ZINC000003158143
ZINC000004015831
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