Vitas-M small molecule compound
methyl 3,3,3-trifluoro-2-{[(3-fluorophenyl)carbonyl]amino}-N-(4-methyl-1,3-benzothiazol-2(3H)-ylidene)alaninate
Catalog ID
STK645844
SMILES COC(=O)C(C(F)(F)F)(/N=c/1\sc2c([nH]1)c(C)ccc2)NC(=O)c1cccc(c1)F
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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 C19H15F4N3O3S MW 441.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15F4N3O3S/c1-10-5-3-8-13-14(10)24-17(30-13)26-18(16(28)29-2,19(21,22)23)25-15(27)11-6-4-7-12(20)9-11/h3-9H,1-2H3,(H,24,26)(H,25,27)InChIKey
SHWPMZAJZYYCCP-UHFFFAOYSA-NSynonyms
COC(=O)C(C(F)(F)F)(N=c1sc2c((nH)1)c(C)ccc2)NC(=O)c1cccc(c1)F
MFCD18164052
ZINC000002050512
ZINC000002050513
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.