Vitas-M small molecule compound
ethyl 4-amino-2-[(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]pyrimidine-5-carboxylate
Catalog ID
STL354744
SMILES CCOC(=O)c1cnc(nc1N)SCC(=O)Nc1cc(ccc1Cl)C(F)(F)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 C16H14ClF3N4O3S MW 434.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClF3N4O3S/c1-2-27-14(26)9-6-22-15(24-13(9)21)28-7-12(25)23-11-5-8(16(18,19)20)3-4-10(11)17/h3-6H,2,7H2,1H3,(H,23,25)(H2,21,22,24)InChIKey
LZUIBSIZKSJKTC-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl
ethyl4amino2((2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl)sulfanyl)pyrimidine5carboxylate
ethyl4amino2(2(2chloro5(trifluoromethyl)anilino)2oxoethyl)sulfanylpyrimidine5carboxylate
InChI=1SC16H14ClF3N4O3Sc122714(26)962215(2413(9)21)28712(25)231158(16(1819)20)3410(11)17h36H27H21H3(H2325)(H2212224)
MFCD02572899
ZINC000000887595
ZINC00887595
ZINC887595
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