Vitas-M small molecule compound
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-3-carbonitrile
Catalog ID
STK694359
SMILES N#CC1=C(N)Oc2c(C1c1ccc(c(c1)Br)OC)oc(cc2=O)CO
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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 C17H13BrN2O5 MW 405.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN2O5/c1-23-13-3-2-8(4-11(13)18)14-10(6-19)17(20)25-15-12(22)5-9(7-21)24-16(14)15/h2-5,14,21H,7,20H2,1H3InChIKey
QTXQTWNYQYNRLS-UHFFFAOYSA-NSynonyms
2amino4(3bromo4methoxyphenyl)6(hydroxymethyl)8oxo48dihydropyrano(32b)pyran3carbonitrile
2amino4(3bromo4methoxyphenyl)6(hydroxymethyl)8oxo4Hpyrano(32b)pyran3carbonitrile
COC1=C(C=C(C=C1)C2C(=C(OC3=C2OC(=CC3=O)CO)N)C#N)Br
InChI=1SC17H13BrN2O5c12313328(411(13)18)1410(619)17(20)251512(22)59(721)2416(14)15h251421H720H21H3
MFCD12034605
ZINC000035324231
ZINC000100242664
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