Vitas-M small molecule compound
3-methyl-7-{[2-methyl-3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK305665
SMILES O=C(C(Cn1ncc(c1)[N+](=O)[O-])C)NC1C(=O)N2C1SCC(=C2C(=O)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 C15H17N5O6S MW 395.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O6S/c1-7(4-18-5-9(3-16-18)20(25)26)12(21)17-10-13(22)19-11(15(23)24)8(2)6-27-14(10)19/h3,5,7,10,14H,4,6H2,1-2H3,(H,17,21)(H,23,24)InChIKey
QEHHUFJINZLAJE-UHFFFAOYSA-NSynonyms
1214685-54-71214685547
3methyl7((2methyl3(4nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3METHYL7((2METHYL3(4NITROPYRAZOL1YL)PROPANOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C(C)CN3C=C(C=N3)(N+)(=O)(O))SC1)C(=O)O
InChI=1SC15H17N5O6Sc17(41859(31618)20(25)26)12(21)171013(22)1911(15(23)24)8(2)62714(10)19h3571014H46H212H3(H1721)(H2324)
MFCD04045877
O=C(C(Cn1ncc(c1)(N+)(=O)(O))C)NC1C(=O)N2C1SCC(=C2C(=O)O)C
ZINC000013959686
ZINC000102627158
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