Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK384940
SMILES O=C(Cn1nc(c(c1C)Cl)C(F)(F)F)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)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 C17H16ClF3N4O6S MW 496.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClF3N4O6S/c1-6-10(18)13(17(19,20)21)23-24(6)3-9(27)22-11-14(28)25-12(16(29)30)8(4-31-7(2)26)5-32-15(11)25/h11,15H,3-5H2,1-2H3,(H,22,27)(H,29,30)InChIKey
JGOLWJTXUMFBMK-UHFFFAOYSA-NSynonyms
1214119-17-11214119171
3((acetyloxy)methyl)7(((4chloro5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(4CHLORO5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)(F)F)Cl
InChI=1SC17H16ClF3N4O6Sc1610(18)13(17(1920)21)2324(6)39(27)221114(28)2512(16(29)30)8(4317(2)26)53215(11)25h1115H35H212H3(H2227)(H2930)
MFCD04046459
ZINC000008715738
ZINC000008715742
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Check stock on Vitas-MAvailable files
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