Vitas-M small molecule compound
methyl 4-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)benzoate
Catalog ID
STL446110
SMILES COC(=O)c1ccc(cc1)/N=C(/c1c(=O)n([nH]c1C(F)(F)F)c1nc2c(s1)cccc2)\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 C21H15F3N4O3S MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N4O3S/c1-11(25-13-9-7-12(8-10-13)19(30)31-2)16-17(21(22,23)24)27-28(18(16)29)20-26-14-5-3-4-6-15(14)32-20/h3-10,27H,1-2H3/b25-11+InChIKey
CDZYILOQUSGRCO-OPEKNORGSA-NSynonyms
COC(=O)c1ccc(cc1)N=C(c1c(=O)n((nH)c1C(F)(F)F)c1nc2c(s1)cccc2)C
methyl4(((1E)1(2(13benzothiazol2yl)3oxo5(trifluoromethyl)23dihydro1Hpyrazol4yl)ethylidene)amino)benzoate
MFCD03697588
ZINC000096026167
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