Vitas-M small molecule compound
7-{[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL400512
SMILES O=C1C(NC(=O)c2n(C)nc(c2Br)C)C2N1C(=C(CS2)C)C(=O)O
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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 C14H15BrN4O4S MW 415.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15BrN4O4S/c1-5-4-24-13-8(12(21)19(13)9(5)14(22)23)16-11(20)10-7(15)6(2)17-18(10)3/h8,13H,4H2,1-3H3,(H,16,20)(H,22,23)InChIKey
WJDVWXTYUAGLHQ-UHFFFAOYSA-NSynonyms
1214028-63-31214028633
7(((4bromo13dimethyl1Hpyrazol5yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4BROMO25DIMETHYLPYRAZOLE3CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=C(C(=NN3C)C)Br)SC1)C(=O)O
InChI=1SC14H15BrN4O4Sc15424138(12(21)19(13)9(5)14(22)23)1611(20)107(15)6(2)1718(10)3h813H4H213H3(H1620)(H2223)
MFCD04048911
ZINC000002758681
ZINC000002758684
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