Vitas-M small molecule compound
7-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402244
SMILES CCn1ncc(c1C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnc(s1)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 C17H17BrN6O4S3 MW 545.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17BrN6O4S3/c1-3-23-12(9(18)4-19-23)13(25)20-10-14(26)24-11(16(27)28)8(5-29-15(10)24)6-30-17-22-21-7(2)31-17/h4,10,15H,3,5-6H2,1-2H3,(H,20,25)(H,27,28)InChIKey
ZOPFOHDSFBKCKW-UHFFFAOYSA-NSynonyms
1214651-30-51214651305
7(((4bromo1ethyl1Hpyrazol5yl)carbonyl)amino)3(((5methyl134thiadiazol2yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4BROMO2ETHYLPYRAZOLE3CARBONYL)AMINO)3((5METHYL134THIADIAZOL2YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C(=C(C=N1)Br)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=C(S4)C)C(=O)O
InChI=1SC17H17BrN6O4S3c132312(9(18)41923)13(25)201014(26)2411(16(27)28)8(52915(10)24)6301722217(2)3117h41015H356H212H3(H2025)(H2728)
MFCD04048948
ZINC000002743780
ZINC000002743783
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