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-NSynonyms
56120-71-93(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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