Vitas-M small molecule compound

3-bromo-1-{[(4-iodophenyl)ammonio]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-olate

Catalog ID
STK559327
SMILES Ic1ccc(cc1)[NH2+]Cc1c([O-])c(Br)cc2c1c1CCCCc1o2

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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 C19H17BrINO2 MW 498.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrINO2/c20-15-9-17-18(13-3-1-2-4-16(13)24-17)14(19(15)23)10-22-12-7-5-11(21)6-8-12/h5-9,22-23H,1-4,10H2
InChIKey
QZIJQIVOZMQRHG-UHFFFAOYSA-N
Synonyms
312939-48-3
312939483
3bromo1(((4iodophenyl)ammonio)methyl)6789tetrahydrodibenzo(bd)furan2olate
3bromo1((4iodoanilino)methyl)6789tetrahydrodibenzofuran2ol
C1CCC2=C(C1)C3=C(C(=C(C=C3O2)Br)O)CNC4=CC=C(C=C4)I
Ic1ccc(cc1)(NH2+)Cc1c((O))c(Br)cc2c1c1CCCCc1o2
InChI=1SC19H17BrINO2c201591718(13312416(13)2417)14(19(15)23)1022127511(21)6812h592223H1410H2
MFCD01956426
ZINC000001773390
ZINC01773390
ZINC1773390

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.