Vitas-M small molecule compound
17-(2-bromo-4-methylphenyl)-1-(hydroxymethyl)-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
STK720169
SMILES OCC12C3C(=O)N(C(=O)C3C(c3c1cccc3)c1c2cccc1)c1ccc(cc1Br)C
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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 C26H20BrNO3 MW 474.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20BrNO3/c1-14-10-11-20(19(27)12-14)28-24(30)22-21-15-6-2-4-8-17(15)26(13-29,23(22)25(28)31)18-9-5-3-7-16(18)21/h2-12,21-23,29H,13H2,1H3InChIKey
XVIJLUFNOAVIOR-UHFFFAOYSA-NSynonyms
17(2bromo4methylphenyl)1(hydroxymethyl)17azapentacyclo(6650~27~0~914~0~1519~)nonadeca24691113hexaene1618dione(nonpreferredname)
CC1=CC(=C(C=C1)N2C(=O)C3C4C5=CC=CC=C5C(C3C2=O)(C6=CC=CC=C46)CO)Br
InChI=1SC26H20BrNO3c114101120(19(27)1214)2824(30)222115624817(15)26(132923(22)25(28)31)18953716(18)21h212212329H13H21H3
MFCD01070711
ZINC000001060776
ZINC000001060780
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