Vitas-M small molecule compound
4-[3-(3,5-dimethoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid
Catalog ID
STK328649
SMILES COc1cc(OC)cc(c1)c1nnc(n1c1ccc(cc1)C(=O)O)S
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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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-23-13-7-11(8-14(9-13)24-2)15-18-19-17(25)20(15)12-5-3-10(4-6-12)16(21)22/h3-9H,1-2H3,(H,19,25)(H,21,22)InChIKey
RXQXQPVNQQATOI-UHFFFAOYSA-NSynonyms
728035-32-34(3(35dimethoxyphenyl)5mercapto4H124triazol4yl)benzoicacid
4(3(35dimethoxyphenyl)5sulfanyl4H124triazol4yl)benzoicacid
4(3(35DIMETHOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)BENZOICACID
728035323
COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC=C(C=C3)C(=O)O)OC
InChI=1SC17H15N3O4Sc12313711(814(913)242)15181917(25)20(15)125310(4612)16(21)22h39H12H3(H1925)(H2122)
MFCD02854292
ZINC18191124
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