Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL402666
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1nn(cc1Br)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 C15H15BrN4O6S MW 459.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15BrN4O6S/c1-6(21)26-4-7-5-27-14-10(13(23)20(14)11(7)15(24)25)17-12(22)9-8(16)3-19(2)18-9/h3,10,14H,4-5H2,1-2H3,(H,17,22)(H,24,25)InChIKey
DYNAVYILMGCIMN-UHFFFAOYSA-NSynonyms
1214796-38-91214796389
3((acetyloxy)methyl)7(((4bromo1methyl1Hpyrazol3yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((4BROMO1METHYLPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=NN(C=C3Br)C)SC1)C(=O)O
InChI=1SC15H15BrN4O6Sc16(21)26475271410(13(23)20(14)11(7)15(24)25)1712(22)98(16)319(2)189h31014H45H212H3(H1722)(H2425)
MFCD03468456
ZINC000022566334
ZINC000022566348
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