Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK309961
SMILES CCn1ncc(c1)C(=O)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 C16H18N4O6S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O6S/c1-3-19-5-9(4-17-19)13(22)18-11-14(23)20-12(16(24)25)10(6-26-8(2)21)7-27-15(11)20/h4-5,11,15H,3,6-7H2,1-2H3,(H,18,22)(H,24,25)InChIKey
GVVSTSDXJKKBLX-UHFFFAOYSA-NSynonyms
1092808-06-41092808064
3((acetyloxy)methyl)7(((1ethyl1Hpyrazol4yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(acetyloxymethyl)7((1ethylpyrazole4carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CCN1C=C(C=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC16H18N4O6Sc131959(41719)13(22)181114(23)2012(16(24)25)10(6268(2)21)72715(11)20h451115H367H212H3(H1822)(H2425)
MFCD05666990
ZINC000013960063
ZINC000013960066
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