Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402567
SMILES CCn1ncc(c1C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)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/c1-3-20-12(9(17)4-18-20)13(23)19-10-14(24)21-11(16(25)26)8(5-27-7(2)22)6-28-15(10)21/h4,10,15H,3,5-6H2,1-2H3,(H,19,23)(H,25,26)InChIKey
YBXXFWMAJFDCFT-UHFFFAOYSA-NSynonyms
1214236-60-81214236608
3((acetyloxy)methyl)7(((4bromo1ethyl1Hpyrazol5yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((4BROMO2ETHYLPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C(=C(C=N1)Br)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC16H17BrN4O6Sc132012(9(17)41820)13(23)191014(24)2111(16(25)26)8(5277(2)22)62815(10)21h41015H356H212H3(H1923)(H2526)
MFCD04048914
ZINC000020602276
ZINC000020602279
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