Vitas-M small molecule compound

ethyl 4-({[3-cyano-4-(4-fluorophenyl)-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-5-methyl-1,2-oxazole-3-carboxylate

Catalog ID
STL175331
SMILES CCOC(=O)c1noc(c1CSc1nc(cc(c1C#N)c1ccc(cc1)F)C(F)(F)F)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 C21H15F4N3O3S MW 465.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F4N3O3S/c1-3-30-20(29)18-16(11(2)31-28-18)10-32-19-15(9-26)14(8-17(27-19)21(23,24)25)12-4-6-13(22)7-5-12/h4-8H,3,10H2,1-2H3
InChIKey
ONBACUGNJYMBCE-UHFFFAOYSA-N
Synonyms
931996-60-0
931996600
CCOC(=O)C1=NOC(=C1CSC2=C(C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F)C#N)C
ethyl4(((3cyano4(4fluorophenyl)6(trifluoromethyl)pyridin2yl)sulfanyl)methyl)5methyl12oxazole3carboxylate
ethyl4((3cyano4(4fluorophenyl)6(trifluoromethyl)pyridin2yl)sulfanylmethyl)5methyl12oxazole3carboxylate
InChI=1SC21H15F4N3O3Sc133020(29)1816(11(2)312818)10321915(926)14(817(2719)21(2324)25)124613(22)7512h48H310H212H3
MFCD08557188
ZINC000013641168
ZINC13641168

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Available files

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