Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405654
SMILES O=C(Cn1nc(c(c1C)Br)C)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 C17H19BrN4O6S MW 487.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN4O6S/c1-7-12(18)8(2)21(20-7)4-11(24)19-13-15(25)22-14(17(26)27)10(5-28-9(3)23)6-29-16(13)22/h13,16H,4-6H2,1-3H3,(H,19,24)(H,26,27)InChIKey
MXRRTBVWHFTHHM-UHFFFAOYSA-NSynonyms
1214054-24-61214054246
3((acetyloxy)methyl)7(((4bromo35dimethyl1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(4BROMO35DIMETHYLPYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C)Br
InChI=1SC17H19BrN4O6Sc1712(18)8(2)21(207)411(24)191315(25)2214(17(26)27)10(5289(3)23)62916(13)22h1316H46H213H3(H1924)(H2627)
MFCD05666993
ZINC000022745012
ZINC000022745023
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