Vitas-M small molecule compound
7-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL401741
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)C)CCn1nc(c(c1C)Br)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 C16H19BrN4O4S MW 443.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19BrN4O4S/c1-7-6-26-15-12(14(23)21(15)13(7)16(24)25)18-10(22)4-5-20-9(3)11(17)8(2)19-20/h12,15H,4-6H2,1-3H3,(H,18,22)(H,24,25)InChIKey
XUYFIZCSLJANOL-UHFFFAOYSA-NSynonyms
1214090-84-21214090842
7((3(4bromo35dimethyl1Hpyrazol1yl)propanoyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7(3(4BROMO35DIMETHYLPYRAZOL1YL)PROPANOYLAMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)CCN3C(=C(C(=N3)C)Br)C)SC1)C(=O)O
InChI=1SC16H19BrN4O4Sc176261512(14(23)21(15)13(7)16(24)25)1810(22)45209(3)11(17)8(2)1920h1215H46H213H3(H1822)(H2425)
MFCD04050371
ZINC000002785974
ZINC000002785977
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