Vitas-M small molecule compound
17-(1,3-benzodioxol-5-yl)-1,8-dibromo-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
STK264408
SMILES O=C1N(c2ccc3c(c2)OCO3)C(=O)C2C1C1(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 C25H15Br2NO4 MW 553.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15Br2NO4/c26-24-14-5-1-2-6-15(14)25(27,17-8-4-3-7-16(17)24)21-20(24)22(29)28(23(21)30)13-9-10-18-19(11-13)32-12-31-18/h1-11,20-21H,12H2InChIKey
MTZSAERXYJUZLO-UHFFFAOYSA-NSynonyms
17(13benzodioxol5yl)18dibromo17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
C1OC2=C(O1)C=C(C=C2)N3C(=O)C4C(C3=O)C5(C6=CC=CC=C6C4(C7=CC=CC=C75)Br)Br
InChI=1SC25H15Br2NO4c262414512615(14)25(2717843716(17)24)2120(24)22(29)28(23(21)30)139101819(1113)32123118h1112021H12H2
MFCD01460591
ZINC000002189915
ZINC000002189918
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