Vitas-M small molecule compound

methyl 4-({[(2Z)-3-benzyl-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinan-6-yl]carbonyl}amino)benzoate

Catalog ID
STK732668
SMILES COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(/C(=N/c2ccc(cc2)C(F)(F)F)/S1)Cc1ccccc1

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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 C27H22F3N3O4S MW 541.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22F3N3O4S/c1-37-25(36)18-7-11-20(12-8-18)31-24(35)22-15-23(34)33(16-17-5-3-2-4-6-17)26(38-22)32-21-13-9-19(10-14-21)27(28,29)30/h2-14,22H,15-16H2,1H3,(H,31,35)/b32-26-
InChIKey
SWGYWJZREAYHTL-FSRJSHLRSA-N
Synonyms
587849-58-9
(Z)methyl4(3benzyl4oxo2((4(trifluoromethyl)phenyl)imino)13thiazinane6carboxamido)benzoate
587849589
COC(=O)c1ccc(cc1)NC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)C(F)(F)F)S1)Cc1ccccc1
methyl4((((2Z)3benzyl4oxo2((4(trifluoromethyl)phenyl)imino)13thiazinan6yl)carbonyl)amino)benzoate
MFCD03676926
ZINC000100969118
ZINC000100969123

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Available files

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