Vitas-M small molecule compound

methyl 2-amino-3-cyano-1-(2,6-dichlorophenyl)-6-methyl-4-(trifluoromethyl)-1,4-dihydropyridine-4-carboxylate

Catalog ID
STK761009
SMILES COC(=O)C1(C=C(C)N(C(=C1C#N)N)c1c(Cl)cccc1Cl)C(F)(F)F

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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 C16H12Cl2F3N3O2 MW 406.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12Cl2F3N3O2/c1-8-6-15(14(25)26-2,16(19,20)21)9(7-22)13(23)24(8)12-10(17)4-3-5-11(12)18/h3-6H,23H2,1-2H3
InChIKey
WMUJOLTUUFBFIC-UHFFFAOYSA-N
Synonyms

CC1=CC(C(=C(N1C2=C(C=CC=C2Cl)Cl)N)C#N)(C(=O)OC)C(F)(F)F
InChI=1SC16H12Cl2F3N3O2c18615(14(25)26216(1920)21)9(722)13(23)24(8)1210(17)43511(12)18h36H23H212H3
methyl2amino3cyano1(26dichlorophenyl)6methyl4(trifluoromethyl)14dihydropyridine4carboxylate
METHYL2AMINO3CYANO1(26DICHLOROPHENYL)6METHYL4(TRIFLUOROMETHYL)PYRIDINE4CARBOXYLATE
MFCD01820329
ZINC000004498764
ZINC000004498767

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.