Vitas-M small molecule compound
methyl 4-{(E)-[(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoate
Catalog ID
STK103426
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(S)nnc1c1ccccc1
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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 C17H14N4O2S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O2S/c1-23-16(22)14-9-7-12(8-10-14)11-18-21-15(19-20-17(21)24)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,24)/b18-11+InChIKey
XRPNKWQGSGJMPO-WOJGMQOQSA-NSynonyms
418802-45-6(E)methyl4(((3mercapto5phenyl4H124triazol4yl)imino)methyl)benzoate
COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3
COC(=O)c1ccc(cc1)C=Nn1c(S)nnc1c1ccccc1
InChI=1SC17H14N4O2Sc12316(22)149712(81014)11182115(192017(21)24)135324613h211H1H3(H2024)b1811+
METHYL4((E)((3PHENYL5SULFANYL4H124TRIAZOL4YL)IMINO)METHYL)BENZOATE
METHYL4((E)((3PHENYL5THIOXO15DIHYDRO4H124TRIAZOL4YL)IMINO)METHYL)BENZOATE
METHYL4((E)(3PHENYL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD01018592
ZINC01240548
ZINC1240548
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