Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK310127
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCn1nc(cc1C)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 C18H19F3N4O6S MW 476.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19F3N4O6S/c1-8-5-11(18(19,20)21)23-24(8)4-3-12(27)22-13-15(28)25-14(17(29)30)10(6-31-9(2)26)7-32-16(13)25/h5,13,16H,3-4,6-7H2,1-2H3,(H,22,27)(H,29,30)InChIKey
PIKGYWIKXMIRHL-UHFFFAOYSA-NSynonyms
1214130-33-21214130332
3((acetyloxy)methyl)7((3(5methyl3(trifluoromethyl)1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(acetyloxymethyl)7(3(5methyl3(trifluoromethyl)pyrazol1yl)propanoylamino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=CC(=NN1CCC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C(F)(F)F
InChI=1SC18H19F3N4O6Sc18511(18(1920)21)2324(8)4312(27)221315(28)2514(17(29)30)10(6319(2)26)73216(13)25h51316H3467H212H3(H2227)(H2930)
MFCD05667031
ZINC000013960085
ZINC000013960088
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