Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-({[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402872
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(c(c1Br)C(F)(F)F)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 C16H14BrF3N4O6S MW 527.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrF3N4O6S/c1-5(25)30-3-6-4-31-14-9(13(27)24(14)10(6)15(28)29)21-12(26)8-7(17)11(16(18,19)20)23(2)22-8/h9,14H,3-4H2,1-2H3,(H,21,26)(H,28,29)InChIKey
WSCPUQTYWBJXKL-UHFFFAOYSA-NSynonyms
1214022-28-21214022282
3((acetyloxy)methyl)7(((4bromo1methyl5(trifluoromethyl)1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((4BROMO1METHYL5(TRIFLUOROMETHYL)PYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3Br)C(F)(F)F)C)SC1)C(=O)O
InChI=1SC16H14BrF3N4O6Sc15(25)3036431149(13(27)24(14)10(6)15(28)29)2112(26)87(17)11(16(1819)20)23(2)228h914H34H212H3(H2126)(H2829)
MFCD04049383
ZINC000097945448
ZINC000097945451
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