Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(1-ethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402581
SMILES CCn1ncc(c1C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)[N+](=O)[O-]
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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/c1-3-19-12(9(4-17-19)21(27)28)13(23)18-10-14(24)20-11(16(25)26)8(5-29-7(2)22)6-30-15(10)20/h4,10,15H,3,5-6H2,1-2H3,(H,18,23)(H,25,26)InChIKey
JDOUQAGLGRDQJU-UHFFFAOYSA-NSynonyms
1214809-84-31214809843
3((acetyloxy)methyl)7(((1ethyl4nitro1Hpyrazol5yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2ETHYL4NITROPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C(=C(C=N1)(N+)(=O)(O))C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
CCn1ncc(c1C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)(N+)(=O)(O)
InChI=1SC16H17N5O8Sc131912(9(41719)21(27)28)13(23)181014(24)2011(16(25)26)8(5297(2)22)63015(10)20h41015H356H212H3(H1823)(H2526)
MFCD04048910
ZINC000017103253
ZINC000017103258
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