Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(2-methyl-4-nitro-1H-imidazol-1-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL178562
SMILES O=C(Cn1cc(nc1C)[N+](=O)[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 C16H17N5O8S MW 439.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O8S/c1-7-17-10(21(27)28)3-19(7)4-11(23)18-12-14(24)20-13(16(25)26)9(5-29-8(2)22)6-30-15(12)20/h3,12,15H,4-6H2,1-2H3,(H,18,23)(H,25,26)InChIKey
UMHBPVVXBCBDIE-UHFFFAOYSA-NSynonyms
1214246-17-91214246179
3((acetyloxy)methyl)7(((2methyl4nitro1Himidazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(acetyloxymethyl)7((2(2methyl4nitroimidazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=NC(=CN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)(N+)(=O)(O)
InChI=1SC16H17N5O8Sc171710(21(27)28)319(7)411(23)181214(24)2013(16(25)26)9(5298(2)22)63015(12)20h31215H46H212H3(H1823)(H2526)
MFCD05666973
O=C(Cn1cc(nc1C)(N+)(=O)(O))NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C
ZINC000013640475
ZINC000013640481
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