Vitas-M small molecule compound
2-bromo-4-[(2-cyanobenzyl)oxy]-5-methoxybenzoic acid
Catalog ID
STL426706
SMILES COc1cc(C(=O)O)c(cc1OCc1ccccc1C#N)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 C16H12BrNO4 MW 362.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrNO4/c1-21-14-6-12(16(19)20)13(17)7-15(14)22-9-11-5-3-2-4-10(11)8-18/h2-7H,9H2,1H3,(H,19,20)InChIKey
DQPALLLNPJQAIV-UHFFFAOYSA-NSynonyms
2bromo4((2cyanobenzyl)oxy)5methoxybenzoicacid
2bromo4((2cyanophenyl)methoxy)5methoxybenzoicacid
COC1=C(C=C(C(=C1)C(=O)O)Br)OCC2=CC=CC=C2C#N
InChI=1SC16H12BrNO4c12114612(16(19)20)13(17)715(14)22911532410(11)818h27H9H21H3(H1920)
MFCD29036250
ZINC000227156773
ZINC227156773
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