Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[2-(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
STK317827
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1ncc(c1)[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 C16H17N5O8S MW 439.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N5O8S/c1-7(19-4-10(3-17-19)21(27)28)13(23)18-11-14(24)20-12(16(25)26)9(5-29-8(2)22)6-30-15(11)20/h3-4,7,11,15H,5-6H2,1-2H3,(H,18,23)(H,25,26)InChIKey
AJGSPZCTZVQHKB-UHFFFAOYSA-NSynonyms
874374-29-53((acetyloxy)methyl)7((2(4nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(4NITROPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
3(ACETYLOXYMETHYL)7(2(4NITROPYRAZOLYL)PROPANOYLAMINO)6OXO2H7H7AHAZETIDINO(21B)13THIAZINE4CARBOXYLICACID
874374295
CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1ncc(c1)(N+)(=O)(O))C
CC(C(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O)N3C=C(C=N3)(N+)(=O)(O)
InChI=1SC16H17N5O8Sc17(19410(31719)21(27)28)13(23)181114(24)2012(16(25)26)9(5298(2)22)63015(11)20h3471115H56H212H3(H1823)(H2526)
MFCD05666953
ZINC000008715753
ZINC000012650163
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.