Vitas-M small molecule compound
methyl 4-[(E)-{[3-(2-methylphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK597320
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccccc1C
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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/c1-12-5-3-4-6-15(12)16-20-21-18(25)22(16)19-11-13-7-9-14(10-8-13)17(23)24-2/h3-11H,1-2H3,(H,21,25)/b19-11+InChIKey
FAKFWDFQYCYLFY-YBFXNURJSA-NSynonyms
488103-67-9488103679
CC1=CC=CC=C1C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)OC
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccccc1C
InChI=1SC18H16N4O2Sc112534615(12)16202118(25)22(16)1911137914(10813)17(23)242h311H12H3(H2125)b1911+
methyl4((E)((3(2methylphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3(2METHYLPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD07200698
ZINC000006056286
ZINC33341731
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