Vitas-M small molecule compound

methyl (2Z)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

Catalog ID
STK777618
SMILES COC(=O)c1s/c(=N\c2cccc(c2)C(F)(F)F)/n(c(=O)c1)Cc1ccc2c(c1)OCO2

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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 C21H15F3N2O5S MW 464.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O5S/c1-29-19(28)17-9-18(27)26(10-12-5-6-15-16(7-12)31-11-30-15)20(32-17)25-14-4-2-3-13(8-14)21(22,23)24/h2-9H,10-11H2,1H3/b25-20-
InChIKey
WCYYRSIYVPTZFJ-QQTULTPQSA-N
Synonyms

COC(=O)c1sc(=Nc2cccc(c2)C(F)(F)F)n(c(=O)c1)Cc1ccc2c(c1)OCO2
methyl(2Z)3(13benzodioxol5ylmethyl)4oxo2((3(trifluoromethyl)phenyl)imino)34dihydro2H13thiazine6carboxylate
MFCD05854739
ZINC000001425556

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Available files

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