Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL401237
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1cnn(c1C)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 C16H18N4O6S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O6S/c1-7-10(4-17-19(7)3)13(22)18-11-14(23)20-12(16(24)25)9(5-26-8(2)21)6-27-15(11)20/h4,11,15H,5-6H2,1-3H3,(H,18,22)(H,24,25)InChIKey
RCWZRULUUPXSNC-UHFFFAOYSA-NSynonyms
1214054-12-21214054122
3((acetyloxy)methyl)7(((15dimethyl1Hpyrazol4yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((15DIMETHYLPYRAZOLE4CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C=NN1C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC16H18N4O6Sc1710(41719(7)3)13(22)181114(23)2012(16(24)25)9(5268(2)21)62715(11)20h41115H56H213H3(H1822)(H2425)
MFCD04048117
ZINC000017080546
ZINC000017080549
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