Vitas-M small molecule compound
methyl 2-{4-[2-amino-3-cyano-6-methyl-4,4-bis(trifluoromethyl)pyridin-1(4H)-yl]-3,5-dimethylphenyl}-3,3,3-trifluoro-2-hydroxypropanoate
Catalog ID
STK682950
SMILES COC(=O)C(C(F)(F)F)(c1cc(C)c(c(c1)C)N1C(=CC(C(=C1N)C#N)(C(F)(F)F)C(F)(F)F)C)O
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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 C21H18F9N3O3 MW 531.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F9N3O3/c1-9-5-12(18(35,16(34)36-4)21(28,29)30)6-10(2)14(9)33-11(3)7-17(19(22,23)24,20(25,26)27)13(8-31)15(33)32/h5-7,35H,32H2,1-4H3InChIKey
MJBOTZQAQMRSON-UHFFFAOYSA-NSynonyms
CC1=CC(=CC(=C1N2C(=CC(C(=C2N)C#N)(C(F)(F)F)C(F)(F)F)C)C)C(C(=O)OC)(C(F)(F)F)O
InChI=1SC21H18F9N3O3c19512(18(3516(34)364)21(2829)30)610(2)14(9)3311(3)717(19(2223)2420(2526)27)13(831)15(33)32h5735H32H214H3
methyl2(4(2amino3cyano6methyl44bis(trifluoromethyl)pyridin1(4H)yl)35dimethylphenyl)333trifluoro2hydroxypropanoate
METHYL2(4(2AMINO3CYANO6METHYL44BIS(TRIFLUOROMETHYL)PYRIDIN1YL)35DIMETHYLPHENYL)333TRIFLUORO2HYDROXYPROPANOATE
MFCD00788184
ZINC000003103025
ZINC000003103026
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