Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[(4-cyanophenyl)carbonyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STK384688
SMILES N#Cc1ccc(cc1)C(=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 C18H15N3O6S MW 401.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O6S/c1-9(22)27-7-12-8-28-17-13(16(24)21(17)14(12)18(25)26)20-15(23)11-4-2-10(6-19)3-5-11/h2-5,13,17H,7-8H2,1H3,(H,20,23)(H,25,26)InChIKey
SCPPVDISFUAALC-UHFFFAOYSA-NSynonyms
1008491-12-01008491120
3((acetyloxy)methyl)7(((4cyanophenyl)carbonyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7((4CYANOBENZOYL)AMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C3=CC=C(C=C3)C#N)SC1)C(=O)O
InChI=1SC18H15N3O6Sc19(22)277128281713(16(24)21(17)14(12)18(25)26)2015(23)114210(619)3511h251317H78H21H3(H2023)(H2526)
MFCD04054109
ZINC000004556389
ZINC000004556392
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