Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[3-(3-methyl-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
STL403866
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCn1nc(c(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 C17H19N5O8S MW 453.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O8S/c1-8-11(22(28)29)5-20(19-8)4-3-12(24)18-13-15(25)21-14(17(26)27)10(6-30-9(2)23)7-31-16(13)21/h5,13,16H,3-4,6-7H2,1-2H3,(H,18,24)(H,26,27)InChIKey
JBWNOAKPTCJDCS-UHFFFAOYSA-NSynonyms
1214705-91-51214705915
3((acetyloxy)methyl)7((3(3methyl4nitro1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(3(3METHYL4NITROPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1(N+)(=O)(O))CCC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC17H19N5O8Sc1811(22(28)29)520(198)4312(24)181315(25)2114(17(26)27)10(6309(2)23)73116(13)21h51316H3467H212H3(H1824)(H2627)
MFCD04050769
O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)CCn1nc(c(c1)(N+)(=O)(O))C
ZINC000013640374
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