Vitas-M small molecule compound
ethyl 4-({[(2Z)-3-butyl-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
Catalog ID
STK112768
SMILES CCCCN1C(=O)CC(S/C/1=N\c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)C(=O)OCC
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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 C25H26F3N3O4S MW 521.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26F3N3O4S/c1-3-5-13-31-21(32)15-20(22(33)29-18-11-9-16(10-12-18)23(34)35-4-2)36-24(31)30-19-8-6-7-17(14-19)25(26,27)28/h6-12,14,20H,3-5,13,15H2,1-2H3,(H,29,33)/b30-24-InChIKey
SRQLHVLUZVLIRI-KRUMMXJUSA-NSynonyms
CCCCN1C(=O)CC(SC1=Nc1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)C(=O)OCC
ethyl4((((2Z)3butyl4oxo2((3(trifluoromethyl)phenyl)imino)13thiazinan6yl)carbonyl)amino)benzoate
MFCD03820194
ZINC000009763498
ZINC000012469723
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