Vitas-M small molecule compound
methyl ({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STL058108
SMILES COC(=O)CSc1nnc(n1N)c1n[nH]c(c1)c1ccc(cc1)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 C14H13FN6O2S MW 348.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13FN6O2S/c1-23-12(22)7-24-14-20-19-13(21(14)16)11-6-10(17-18-11)8-2-4-9(15)5-3-8/h2-6H,7,16H2,1H3,(H,17,18)InChIKey
HVUUBEAXRDHOGV-UHFFFAOYSA-NSynonyms
879459-04-8879459048
COC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=C(C=C3)F
COC(=O)CSc1nnc(n1N)c1(nH)nc(c1)c1ccc(cc1)F
COC(=O)CSc1nnc(n1N)c1n(nH)c(c1)c1ccc(cc1)F
InChI=1SC14H13FN6O2Sc12312(22)72414201913(21(14)16)11610(171811)8249(15)538h26H716H21H3(H1718)
methyl((4amino5(5(4fluorophenyl)1Hpyrazol3yl)4H124triazol3yl)sulfanyl)acetate
METHYL2((4AMINO5(3(4FLUOROPHENYL)1HPYRAZOL5YL)124TRIAZOL3YL)SULFANYL)ACETATE
methyl2((4amino5(3(4fluorophenyl)1Hpyrazol5yl)4H124triazol3yl)thio)acetate
METHYL2(4AMINO5(3(4FLUOROPHENYL)PYRAZOL5YL)124TRIAZOL3YLTHIO)ACETATE
MFCD07209750
ZINC000009014979
ZINC09014979
ZINC9014979
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