Vitas-M small molecule compound
3-[(acetyloxy)methyl]-7-{[2-(4-chloro-5-methyl-1H-pyrazol-1-yl)propanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Catalog ID
STL401812
SMILES CC(=O)OCC1=C(C(=O)O)N2C(SC1)C(C2=O)NC(=O)C(n1ncc(c1C)Cl)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 C17H19ClN4O6S MW 442.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19ClN4O6S/c1-7-11(18)4-19-22(7)8(2)14(24)20-12-15(25)21-13(17(26)27)10(5-28-9(3)23)6-29-16(12)21/h4,8,12,16H,5-6H2,1-3H3,(H,20,24)(H,26,27)InChIKey
ICFQQTYZKVRPQK-UHFFFAOYSA-NSynonyms
1214218-45-71214218457
3((acetyloxy)methyl)7((2(4chloro5methyl1Hpyrazol1yl)propanoyl)amino)8oxo5thia1azabicyclo(420)oct2ene2carboxylicacid
3(ACETYLOXYMETHYL)7(2(4CHLORO5METHYLPYRAZOL1YL)PROPANOYLAMINO)8OXO5THIA1AZABICYCLO(420)OCT2ENE2CARBOXYLICACID
CC1=C(C=NN1C(C)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)Cl
InChI=1SC17H19ClN4O6Sc1711(18)41922(7)8(2)14(24)201215(25)2113(17(26)27)10(5289(3)23)62916(12)21h481216H56H213H3(H2024)(H2627)
MFCD04046455
ZINC000019637211
ZINC000035678697
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