Vitas-M small molecule compound

3-{7-[(4-bromo-2-fluorobenzyl)oxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoic acid

Catalog ID
STL463269
SMILES OC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1F)Br

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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 C21H18BrFO5 MW 449.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrFO5/c1-11-15-5-7-18(27-10-13-3-4-14(22)9-17(13)23)12(2)20(15)28-21(26)16(11)6-8-19(24)25/h3-5,7,9H,6,8,10H2,1-2H3,(H,24,25)
InChIKey
IMVNNUIMTGKSKX-UHFFFAOYSA-N
Synonyms
701931-60-4
3(7((4bromo2fluorobenzyl)oxy)48dimethyl2oxo2Hchromen3yl)propanoicacid
3(7((4BROMO2FLUOROPHENYL)METHOXY)48DIMETHYL2OXOCHROMEN3YL)PROPANOICACID
3(7(4BROMO2FLUOROBENZYLOXY)48DIMETHYL2OXO2HCHROMEN3YL)PROPANOICACID
701931604
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=C(C=C(C=C3)Br)F)CCC(=O)O
InChI=1SC21H18BrFO5c111155718(2710133414(22)917(13)23)12(2)20(15)2821(26)16(11)6819(24)25h3579H6810H212H3(H2425)
MFCD03851040
ZINC000009033984
ZINC9033984

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Available files

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