Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(3-methyl-1H-pyrazol-1-yl)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL400955
SMILES O=C(NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=O)C)Cn1ccc(n1)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/c1-8-3-4-19(18-8)5-11(22)17-12-14(23)20-13(16(24)25)10(6-26-9(2)21)7-27-15(12)20/h3-4,12,15H,5-7H2,1-2H3,(H,17,22)(H,24,25)InChIKey
STUBRIDAXDFXEX-UHFFFAOYSA-NSynonyms
1214156-53-21214156532
3((acetyloxy)methyl)7(((3methyl1Hpyrazol1yl)acetyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2(3METHYLPYRAZOL1YL)ACETYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=NN(C=C1)CC(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC16H18N4O6Sc183419(188)511(22)171214(23)2013(16(24)25)10(6269(2)21)72715(12)20h341215H57H212H3(H1722)(H2425)
MFCD04049503
ZINC000017080550
ZINC000017080553
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