Vitas-M small molecule compound

3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid

Catalog ID
STL334904
SMILES N#CC(C(=O)O)Cc1ccc(c(c1)Cl)OCC(C)C

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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 C14H16ClNO3 MW 281.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16ClNO3/c1-9(2)8-19-13-4-3-10(6-12(13)15)5-11(7-16)14(17)18/h3-4,6,9,11H,5,8H2,1-2H3,(H,17,18)
InChIKey
OBESQQMZAUTTAQ-UHFFFAOYSA-N
Synonyms
56120-71-9
3(3chloro4(2methylpropoxy)phenyl)2cyanopropanoicacid
3(3chloro4isobutoxyphenyl)2cyanopropanoicacid
56120719
CC(C)COC1=C(C=C(C=C1)CC(C#N)C(=O)O)Cl
InChI=1SC14H16ClNO3c19(2)819134310(612(13)15)511(716)14(17)18h346911H58H212H3(H1718)
MFCD02320575
ZINC000000450630
ZINC000000450631

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Available files

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