Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[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
STL403623
SMILES O=C(Cn1nc(cc1C)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 C17H17F3N4O6S MW 462.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17F3N4O6S/c1-7-3-10(17(18,19)20)22-23(7)4-11(26)21-12-14(27)24-13(16(28)29)9(5-30-8(2)25)6-31-15(12)24/h3,12,15H,4-6H2,1-2H3,(H,21,26)(H,28,29)InChIKey
QFTJTDPDNRZHCK-UHFFFAOYSA-NSynonyms
1214667-30-71214667307
3((acetyloxy)methyl)7(((5methyl3(trifluoromethyl)1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(acetyloxymethyl)7((2(5methyl3(trifluoromethyl)pyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=CC(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)(F)F
InChI=1SC17H17F3N4O6Sc17310(17(1819)20)2223(7)411(26)211214(27)2413(16(28)29)9(5308(2)25)63115(12)24h31215H46H212H3(H2126)(H2829)
MFCD05667027
ZINC000022569768
ZINC000022569784
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