Vitas-M small molecule compound
4-{[(E)-{3-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-4-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173759
SMILES COc1ccc(cc1COc1ccc2c(c1)CCC2)/C=N/n1cnnc1S
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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 C20H20N4O2S MW 380.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S/c1-25-19-8-5-14(11-22-24-13-21-23-20(24)27)9-17(19)12-26-18-7-6-15-3-2-4-16(15)10-18/h5-11,13H,2-4,12H2,1H3,(H,23,27)/b22-11+InChIKey
WOFVGNWDFDLRBY-SSDVNMTOSA-NSynonyms
828275-87-24(((E)(3((23dihydro1Hinden5yloxy)methyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
4((E)(3(23dihydro1Hinden5yloxymethyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
828275872
COC1=C(C=C(C=C1)C=NN2C=NNC2=S)COC3=CC4=C(CCC4)C=C3
COc1ccc(cc1COc1ccc2c(c1)CCC2)C=Nn1cnnc1S
InChI=1SC20H20N4O2Sc125198514(11222413212320(24)27)917(19)122618761532416(15)1018h51113H2412H21H3(H2327)b2211+
MFCD04047793
ZINC000008493064
ZINC2789515
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