Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(4-bromo-3-methyl-1H-pyrazol-1-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405680
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)Cn1cc(c(n1)C)Br
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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 C16H17BrN4O6S MW 473.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN4O6S/c1-7-10(17)3-20(19-7)4-11(23)18-12-14(24)21-13(16(25)26)9(5-27-8(2)22)6-28-15(12)21/h3,12,15H,4-6H2,1-2H3,(H,18,23)(H,25,26)InChIKey
KAMWTXFZBCUMPX-UHFFFAOYSA-NSynonyms
1214694-36-61214694366
3((acetyloxy)methyl)7(((4bromo3methyl1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(4BROMO3METHYLPYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1Br)CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC16H17BrN4O6Sc1710(17)320(197)411(23)181214(24)2113(16(25)26)9(5278(2)22)62815(12)21h31215H46H212H3(H1823)(H2526)
MFCD05667008
ZINC000009431532
ZINC000009431537
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