Vitas-M small molecule compound
7-({[4-bromo-1-methyl-3-(trifluoromethyl)-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
STK384697
SMILES O=C(c1n(C)nc(c1Br)C(F)(F)F)NC1C(=O)N2C1SCC(=C2C(=O)O)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 C14H12BrF3N4O4S MW 469.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12BrF3N4O4S/c1-4-3-27-12-6(11(24)22(12)7(4)13(25)26)19-10(23)8-5(15)9(14(16,17)18)20-21(8)2/h6,12H,3H2,1-2H3,(H,19,23)(H,25,26)InChIKey
GXHGACBSIKLFMM-UHFFFAOYSA-NSynonyms
1214038-23-91214038239
7(((4bromo1methyl3(trifluoromethyl)1Hpyrazol5yl)carbonyl)amino)3methyl8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
7((4BROMO2METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)3METHYL8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(N2C(C(C2=O)NC(=O)C3=C(C(=NN3C)C(F)(F)F)Br)SC1)C(=O)O
InChI=1SC14H12BrF3N4O4Sc14327126(11(24)22(12)7(4)13(25)26)1910(23)85(15)9(14(1617)18)2021(8)2h612H3H212H3(H1923)(H2526)
MFCD04050161
ZINC000002785566
ZINC000002785569
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