Vitas-M small molecule compound
3-(2-bromophenoxy)-8-[(2-methylpiperidinium-1-yl)methyl]-4-oxo-4H-chromen-7-olate
Catalog ID
STK578568
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1C)occ(c2=O)Oc1ccccc1Br
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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 C22H22BrNO4 MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22BrNO4/c1-14-6-4-5-11-24(14)12-16-18(25)10-9-15-21(26)20(13-27-22(15)16)28-19-8-3-2-7-17(19)23/h2-3,7-10,13-14,25H,4-6,11-12H2,1H3InChIKey
AUOVCKQFQWRSAA-UHFFFAOYSA-NSynonyms
844860-47-5(O)c1ccc2c(c1C(NH+)1CCCCC1C)occ(c2=O)Oc1ccccc1Br
3(2bromophenoxy)8((2methylpiperidin1ium1yl)methyl)4oxochromen7olate
3(2bromophenoxy)8((2methylpiperidinium1yl)methyl)4oxo4Hchromen7olate
CC1CCCC(NH+)1CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)(O)
InChI=1SC22H22BrNO4c1146451124(14)121618(25)1091521(26)20(132722(15)16)2819832717(19)23h23710131425H461112H21H3
MFCD02343030
ZINC000002411950
ZINC000002411951
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