Vitas-M small molecule compound
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-({[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK256694
SMILES Cc1nnc(s1)SCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)Cn1ccc(n1)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 C17H15F3N6O4S3 MW 520.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N6O4S3/c1-7-22-23-16(33-7)32-6-8-5-31-14-11(13(28)26(14)12(8)15(29)30)21-10(27)4-25-3-2-9(24-25)17(18,19)20/h2-3,11,14H,4-6H2,1H3,(H,21,27)(H,29,30)InChIKey
HTPRWZYSQLXDQD-UHFFFAOYSA-NSynonyms
3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo7(((3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO7((2(3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=CC(=N4)C(F)(F)F)SC2)C(=O)O
InChI=1SC17H15F3N6O4S3c17222316(337)32685311411(13(28)26(14)12(8)15(29)30)2110(27)425329(2425)17(1819)20h231114H46H21H3(H2127)(H2930)
MFCD08680755
ZINC000098045680
ZINC000098045683
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