Vitas-M small molecule compound
methyl 4-[(E)-{[3-(4-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK596192
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)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 C18H16N4O2S MW 352.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O2S/c1-12-3-7-14(8-4-12)16-20-21-18(25)22(16)19-11-13-5-9-15(10-6-13)17(23)24-2/h3-11H,1-2H3,(H,21,25)/b19-11+InChIKey
WFCOVAHJMPFINB-YBFXNURJSA-NSynonyms
489402-55-3489402553
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C
InChI=1SC18H16N4O2Sc1123714(8412)16202118(25)22(16)1911135915(10613)17(23)242h311H12H3(H2125)b1911+
methyl4((E)((3(4methylphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3(4METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD07210390
ZINC000006054246
ZINC6032864
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