Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(3,5-dimethylphenyl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK384685
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)c1cc(C)cc(c1)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 C19H20N2O6S MW 404.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O6S/c1-9-4-10(2)6-12(5-9)16(23)20-14-17(24)21-15(19(25)26)13(7-27-11(3)22)8-28-18(14)21/h4-6,14,18H,7-8H2,1-3H3,(H,20,23)(H,25,26)InChIKey
APLWRCOGQLUCNR-UHFFFAOYSA-NSynonyms
1009247-55-51009247555
3((acetyloxy)methyl)7(((35dimethylphenyl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((35DIMETHYLBENZOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=CC(=CC(=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C
InChI=1SC19H20N2O6Sc19410(2)612(59)16(23)201417(24)2115(19(25)26)13(72711(3)22)82818(14)21h461418H78H213H3(H2023)(H2526)
MFCD04966774
ZINC000004556385
ZINC000004556388
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