Vitas-M small molecule compound
ethyl 6-({[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanyl}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STL178954
SMILES CCOC(=O)C1=C(CSc2nc(cc(c2C#N)C)C(F)F)NC(=O)NC1c1ccc(cc1)OC
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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 C23H22F2N4O4S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F2N4O4S/c1-4-33-22(30)18-17(11-34-21-15(10-26)12(2)9-16(27-21)20(24)25)28-23(31)29-19(18)13-5-7-14(32-3)8-6-13/h5-9,19-20H,4,11H2,1-3H3,(H2,28,29,31)InChIKey
HCBPRPGNCQPUAF-UHFFFAOYSA-NSynonyms
938011-34-8938011348
CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CSC3=C(C(=CC(=N3)C(F)F)C)C#N
ethyl6(((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanyl)methyl)4(4methoxyphenyl)2oxo1234tetrahydropyrimidine5carboxylate
ethyl6((3cyano6(difluoromethyl)4methylpyridin2yl)sulfanylmethyl)4(4methoxyphenyl)2oxo34dihydro1Hpyrimidine5carboxylate
InChI=1SC23H22F2N4O4Sc143322(30)1817(11342115(1026)12(2)916(2721)20(24)25)2823(31)2919(18)135714(323)8613h591920H411H213H3(H2282931)
MFCD08557200
ZINC000036612873
ZINC000036612874
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