Vitas-M small molecule compound

methyl (2Z)-2-[(3-chloro-4-fluorophenyl)imino]-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate

Catalog ID
STK684053
SMILES COC(=O)c1cc(=O)n(/c(=N/c2ccc(c(c2)Cl)F)/s1)CCc1ccc(cc1)OC

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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 C21H18ClFN2O4S MW 448.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN2O4S/c1-28-15-6-3-13(4-7-15)9-10-25-19(26)12-18(20(27)29-2)30-21(25)24-14-5-8-17(23)16(22)11-14/h3-8,11-12H,9-10H2,1-2H3/b24-21-
InChIKey
HDSXGXFYQQEYDT-FLFQWRMESA-N
Synonyms

COC(=O)c1cc(=O)n(c(=Nc2ccc(c(c2)Cl)F)s1)CCc1ccc(cc1)OC
methyl(2Z)2((3chloro4fluorophenyl)imino)3(2(4methoxyphenyl)ethyl)4oxo34dihydro2H13thiazine6carboxylate
MFCD05259508
ZINC000100163625

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Available files

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