Vitas-M small molecule compound

3-(2-bromophenoxy)-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate

Catalog ID
STK590471
SMILES [O-]c1ccc2c(c1C[NH+]1CCCCC1)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 C21H20BrNO4 MW 430.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrNO4/c22-16-6-2-3-7-18(16)27-19-13-26-21-14(20(19)25)8-9-17(24)15(21)12-23-10-4-1-5-11-23/h2-3,6-9,13,24H,1,4-5,10-12H2
InChIKey
AOJDAGXTMQZHBE-UHFFFAOYSA-N
Synonyms
846599-92-6
(O)c1ccc2c(c1C(NH+)1CCCCC1)occ(c2=O)Oc1ccccc1Br
3(2bromophenoxy)4oxo8(piperidin1ium1ylmethyl)chromen7olate
3(2bromophenoxy)4oxo8(piperidinium1ylmethyl)4Hchromen7olate
3(2BROMOPHENOXY)7HYDROXY8(PIPERIDIN1YLMETHYL)CHROMEN4ONE
846599926
C1CC(NH+)(CC1)CC2=C(C=CC3=C2OC=C(C3=O)OC4=CC=CC=C4Br)(O)
InChI=1SC21H20BrNO4c2216623718(16)271913262114(20(19)25)8917(24)15(21)1223104151123h23691324H1451012H2
MFCD04177112
ZINC000002329055
ZINC2329055

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Available files

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