Vitas-M small molecule compound
{3-[4-(methylsulfanyl)phenyl]-6-oxopyridazin-1(6H)-yl}acetic acid
Catalog ID
STL158043
SMILES CSc1ccc(cc1)c1ccc(=O)n(n1)CC(=O)O
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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 C13H12N2O3S MW 276.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3S/c1-19-10-4-2-9(3-5-10)11-6-7-12(16)15(14-11)8-13(17)18/h2-7H,8H2,1H3,(H,17,18)InChIKey
XKYGGXKBSZMAGL-UHFFFAOYSA-NSynonyms
1245569-61-2(3(4(methylsulfanyl)phenyl)6oxopyridazin1(6H)yl)aceticacid
1245569612
2(3(4(METHYLTHIO)PHENYL)6OXOPYRIDAZIN1(6H)YL)ACETICACID
2(3(4methylsulfanylphenyl)6oxopyridazin1yl)aceticacid
CSC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)O
InChI=1SC13H12N2O3Sc11910429(3510)116712(16)15(1411)813(17)18h27H8H21H3(H1718)
MFCD17430420
ZINC000049538540
ZINC49538540
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