Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL405692
SMILES CCn1nccc1C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)COC(=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 C16H18N4O6S MW 394.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O6S/c1-3-19-10(4-5-17-19)13(22)18-11-14(23)20-12(16(24)25)9(6-26-8(2)21)7-27-15(11)20/h4-5,11,15H,3,6-7H2,1-2H3,(H,18,22)(H,24,25)InChIKey
VIIXULHATXWUAS-UHFFFAOYSA-NSynonyms
1214100-28-31214100283
3((acetyloxy)methyl)7(((1ethyl1Hpyrazol5yl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((2ETHYLPYRAZOLE3CARBONYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CCN1C(=CC=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O
InChI=1SC16H18N4O6Sc131910(451719)13(22)181114(23)2012(16(24)25)9(6268(2)21)72715(11)20h451115H367H212H3(H1822)(H2425)
MFCD05667016
ZINC000009431631
ZINC000009431637
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