Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL403935
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1nc(c(c1C)Cl)C)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 C18H21ClN4O6S MW 456.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21ClN4O6S/c1-7-12(19)8(2)23(21-7)9(3)15(25)20-13-16(26)22-14(18(27)28)11(5-29-10(4)24)6-30-17(13)22/h9,13,17H,5-6H2,1-4H3,(H,20,25)(H,27,28)InChIKey
QBYLKYAIZJNCJE-UHFFFAOYSA-NSynonyms
1214098-69-71214098697
3((acetyloxy)methyl)7((2(4chloro35dimethyl1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(acetyloxymethyl)7(2(4chloro35dimethylpyrazol1yl)propanoylamino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
CC1=C(C(=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)C)Cl
InChI=1SC18H21ClN4O6Sc1712(19)8(2)23(217)9(3)15(25)201316(26)2214(18(27)28)11(52910(4)24)63017(13)22h91317H56H214H3(H2025)(H2728)
MFCD05666980
ZINC000020614011
ZINC000036007468
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