Vitas-M small molecule compound
4-{3-[(2-ethoxy-2-oxoethyl)sulfanyl]-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl}benzoic acid
Catalog ID
STK547942
SMILES CCOC(=O)CSc1nnc(n1c1ccc(cc1)C(=O)O)c1ccco1
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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 C17H15N3O5S MW 373.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O5S/c1-2-24-14(21)10-26-17-19-18-15(13-4-3-9-25-13)20(17)12-7-5-11(6-8-12)16(22)23/h3-9H,2,10H2,1H3,(H,22,23)InChIKey
VQHCEMMJRSKUCD-UHFFFAOYSA-NSynonyms
799807-67-34(3((2ethoxy2oxoethyl)sulfanyl)5(furan2yl)4H124triazol4yl)benzoicacid
4(3((2ethoxy2oxoethyl)thio)5(furan2yl)4H124triazol4yl)benzoicacid
4(3(2ETHOXY2OXOETHYL)SULFANYL5(FURAN2YL)124TRIAZOL4YL)BENZOICACID
799807673
CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C(=O)O)C3=CC=CO3
InChI=1SC17H15N3O5Sc122414(21)102617191815(134392513)20(17)127511(6812)16(22)23h39H210H21H3(H2223)
MFCD03679535
ZINC000005031120
ZINC5031120
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