Vitas-M small molecule compound
methyl 4-[(E)-{[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STL147999
SMILES COc1ccc(cc1)c1n[nH]c(=S)n1/N=C/c1ccc(cc1)C(=O)OC
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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 C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-24-15-9-7-13(8-10-15)16-20-21-18(26)22(16)19-11-12-3-5-14(6-4-12)17(23)25-2/h3-11H,1-2H3,(H,21,26)/b19-11+InChIKey
OUCNLLBSPQIOQR-YBFXNURJSA-NSynonyms
420840-93-3420840933
COc1ccc(cc1)c1n(nH)c(=S)n1N=Cc1ccc(cc1)C(=O)OC
InChI=1SC18H16N4O3Sc124159713(81015)16202118(26)22(16)1911123514(6412)17(23)252h311H12H3(H2126)b1911+
methyl4((E)((3(4methoxyphenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3(4METHOXYPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD03797229
ZINC000002586912
ZINC04679479
ZINC4679479
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