Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405663
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(cc1C)[N+](=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 C17H19N5O8S MW 453.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O8S/c1-7-4-11(22(28)29)19-21(7)8(2)14(24)18-12-15(25)20-13(17(26)27)10(5-30-9(3)23)6-31-16(12)20/h4,8,12,16H,5-6H2,1-3H3,(H,18,24)(H,26,27)InChIKey
NNBFYFCNUCSAON-UHFFFAOYSA-NSynonyms
1214819-25-61214819256
3((acetyloxy)methyl)7((2(5methyl3nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(5METHYL3NITROPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(cc1C)(N+)(=O)(O))C
CC1=CC(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)(N+)(=O)(O)
InChI=1SC17H19N5O8Sc17411(22(28)29)1921(7)8(2)14(24)181215(25)2013(17(26)27)10(5309(3)23)63116(12)20h481216H56H213H3(H1824)(H2627)
MFCD05666982
ZINC000022535266
ZINC000033874350
Check stock
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Check stock on Vitas-MAvailable files
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