Vitas-M small molecule compound
7-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402714
SMILES CCn1ncc(c1C(=O)NC1C(=O)N2C1SCC(=C2C(=O)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 C14H15BrN4O4S MW 415.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15BrN4O4S/c1-3-18-10(7(15)4-16-18)11(20)17-8-12(21)19-9(14(22)23)6(2)5-24-13(8)19/h4,8,13H,3,5H2,1-2H3,(H,17,20)(H,22,23)InChIKey
QHYWBFAZHAEHPX-UHFFFAOYSA-NSynonyms
1214691-43-61214691436
7(((4bromo1ethyl1Hpyrazol5yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4BROMO2ETHYLPYRAZOLE3CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C(=C(C=N1)Br)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O
InChI=1SC14H15BrN4O4Sc131810(7(15)41618)11(20)17812(21)199(14(22)23)6(2)52413(8)19h4813H35H212H3(H1720)(H2223)
MFCD04048915
ZINC000002747681
ZINC000002747684
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