Vitas-M small molecule compound
7-{[2-(4-bromo-1H-pyrazol-1-yl)propanoyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK256696
SMILES Brc1cnn(c1)C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C)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 C16H17BrN8O4S2 MW 529.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17BrN8O4S2/c1-7(24-4-9(17)3-18-24)12(26)19-10-13(27)25-11(15(28)29)8(5-30-14(10)25)6-31-16-20-21-22-23(16)2/h3-4,7,10,14H,5-6H2,1-2H3,(H,19,26)(H,28,29)InChIKey
QHXYHQDJQUOFOW-UHFFFAOYSA-NSynonyms
7((2(4bromo1Hpyrazol1yl)propanoyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4BROMO1HPYRAZOL1YL)PROPANOYL)AMINO)3(((1METHYL1HTETRAZOL5YL)THIO)METHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
7(2(4BROMOPYRAZOL1YL)PROPANOYLAMINO)3((1METHYLTETRAZOL5YL)SULFANYLMETHYL)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(C(=O)NC1C2N(C1=O)C(=C(CS2)CSC3=NN=NN3C)C(=O)O)N4C=C(C=N4)Br
InChI=1SC16H17BrN8O4S2c17(2449(17)31824)12(26)191013(27)2511(15(28)29)8(53014(10)25)6311620212223(16)2h3471014H56H212H3(H1926)(H2829)
MFCD08680756
ZINC000017356874
ZINC000038154888
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