Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[3-(3-methoxy-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
STL405657
SMILES COc1nn(cc1[N+](=O)[O-])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 C17H19N5O9S MW 469.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O9S/c1-8(23)31-6-9-7-32-16-12(15(25)21(16)13(9)17(26)27)18-11(24)3-4-20-5-10(22(28)29)14(19-20)30-2/h5,12,16H,3-4,6-7H2,1-2H3,(H,18,24)(H,26,27)InChIKey
NFIXRZIAHKKIMQ-UHFFFAOYSA-NSynonyms
1214042-47-31214042473
3((acetyloxy)methyl)7((3(3methoxy4nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(3(3METHOXY4NITROPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCN3C=C(C(=N3)OC)(N+)(=O)(O))SC1)C(=O)O
COc1nn(cc1(N+)(=O)(O))CCC(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C
InChI=1SC17H19N5O9Sc18(23)31697321612(15(25)21(16)13(9)17(26)27)1811(24)3420510(22(28)29)14(1920)302h51216H3467H212H3(H1824)(H2627)
MFCD05667000
ZINC000022705430
ZINC000022705439
Check stock
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