Vitas-M small molecule compound
6-{[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-methylpropanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Catalog ID
STL401387
SMILES O=C(C(Cn1nc(c(c1C)Br)C)C)NC1C(=O)N2C1SC(C2C(=O)O)(C)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 C17H23BrN4O4S MW 459.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23BrN4O4S/c1-7(6-21-9(3)10(18)8(2)20-21)13(23)19-11-14(24)22-12(16(25)26)17(4,5)27-15(11)22/h7,11-12,15H,6H2,1-5H3,(H,19,23)(H,25,26)InChIKey
ZODSRFUGNOWACW-UHFFFAOYSA-NSynonyms
1044265-15-71044265157
6((3(4bromo35dimethyl1Hpyrazol1yl)2methylpropanoyl)amino)33dimethyl7oxo4thia1azabicyclo(320)heptane2carboxylicacid
6((3(4BROMO35DIMETHYLPYRAZOL1YL)2METHYLPROPANOYL)AMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLICACID
6(3(4BROMO35DIMETHYLPYRAZOLYL)2METHYLPROPANOYLAMINO)33DIMETHYL7OXO4THIA1AZABICYCLO(320)HEPTANE2CARBOXYLICACID
CC1=C(C(=NN1CC(C)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)C)Br
InChI=1SC17H23BrN4O4Sc17(6219(3)10(18)8(2)2021)13(23)191114(24)2212(16(25)26)17(45)2715(11)22h7111215H6H215H3(H1923)(H2526)
MFCD04050774
ZINC000002786644
ZINC000229874594
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