Vitas-M small molecule compound

3-[(acetyloxy)methyl]-8-oxo-7-(propanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Catalog ID
STL177589
SMILES CCC(=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 C13H16N2O6S MW 328.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O6S/c1-3-8(17)14-9-11(18)15-10(13(19)20)7(4-21-6(2)16)5-22-12(9)15/h9,12H,3-5H2,1-2H3,(H,14,17)(H,19,20)
InChIKey
SOXAXJJPBJBMGR-UHFFFAOYSA-N
Synonyms
856657-25-5
3((acetyloxy)methyl)8oxo7(propanoylamino)5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)8OXO7(PROPANOYLAMINO)5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
856657255
CCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
InChI=1SC13H16N2O6Sc138(17)14911(18)1510(13(19)20)7(4216(2)16)52212(9)15h912H35H212H3(H1417)(H1920)
MFCD05666966
ZINC000007260681
ZINC000007260685

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.