Vitas-M small molecule compound

ethyl 4-({(2Z)-3-[2-(4-fluorophenyl)ethyl]-6-[(3-methylphenyl)carbamoyl]-4-oxo-1,3-thiazinan-2-ylidene}amino)benzoate

Catalog ID
STK103651
SMILES CCOC(=O)c1ccc(cc1)/N=C/1\SC(CC(=O)N1CCc1ccc(cc1)F)C(=O)Nc1cccc(c1)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 C29H28FN3O4S MW 533.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28FN3O4S/c1-3-37-28(36)21-9-13-23(14-10-21)32-29-33(16-15-20-7-11-22(30)12-8-20)26(34)18-25(38-29)27(35)31-24-6-4-5-19(2)17-24/h4-14,17,25H,3,15-16,18H2,1-2H3,(H,31,35)/b32-29-
InChIKey
KIEWEFQCPOKHBG-OVXWJCGASA-N
Synonyms
522650-01-7
(Z)ethyl4((3(4fluorophenethyl)4oxo6(mtolylcarbamoyl)13thiazinan2ylidene)amino)benzoate
522650017
CCOC(=O)c1ccc(cc1)N=C1SC(CC(=O)N1CCc1ccc(cc1)F)C(=O)Nc1cccc(c1)C
ethyl4(((2Z)3(2(4fluorophenyl)ethyl)6((3methylphenyl)carbamoyl)4oxo13thiazinan2ylidene)amino)benzoate
MFCD03487371
ZINC000100142444
ZINC000100142447

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Available files

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