Vitas-M small molecule compound
7-{[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]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
STL403768
SMILES O=C(Cn1nc(c(c1C)Br)C)NC1C(=O)N2C1SCC(=C2C(=O)O)CSc1nnnn1C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H19BrN8O4S2 MW 543.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19BrN8O4S2/c1-7-11(18)8(2)25(21-7)4-10(27)19-12-14(28)26-13(16(29)30)9(5-31-15(12)26)6-32-17-20-22-23-24(17)3/h12,15H,4-6H2,1-3H3,(H,19,27)(H,29,30)InChIKey
UNBRNEABBCGIGT-UHFFFAOYSA-NSynonyms
1214094-76-41214094764
7(((4bromo35dimethyl1Hpyrazol1yl)acetyl)amino)3(((1methyl1Htetrazol5yl)sulfanyl)methyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((2(4bromo35dimethylpyrazol1yl)acetyl)amino)3((1methyltetrazol5yl)sulfanylmethyl)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=C(C(=NN1CC(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)C)Br
InChI=1SC17H19BrN8O4S2c1711(18)8(2)25(217)410(27)191214(28)2613(16(29)30)9(53115(12)26)6321720222324(17)3h1215H46H213H3(H1927)(H2930)
MFCD04139812
ZINC000002730148
ZINC000002730151
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