Vitas-M small molecule compound
4-{[(E)-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}methylidene]amino}-4H-1,2,4-triazole-3-thiol
Catalog ID
STL177628
SMILES COc1ccc(cc1COc1ccc(c(c1)C)Cl)/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 C18H17ClN4O2S MW 388.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN4O2S/c1-12-7-15(4-5-16(12)19)25-10-14-8-13(3-6-17(14)24-2)9-21-23-11-20-22-18(23)26/h3-9,11H,10H2,1-2H3,(H,22,26)/b21-9+InChIKey
GYIULVQAFRYAGZ-ZVBGSRNCSA-NSynonyms
828285-37-64(((E)(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)methylidene)amino)4H124triazole3thiol
4((E)(3((4chloro3methylphenoxy)methyl)4methoxyphenyl)methylideneamino)1H124triazole5thione
828285376
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NN3C=NNC3=S)OC)Cl
COc1ccc(cc1COc1ccc(c(c1)C)Cl)C=Nn1cnnc1S
InChI=1SC18H17ClN4O2Sc112715(4516(12)19)251014813(3617(14)242)9212311202218(23)26h3911H10H212H3(H2226)b219+
MFCD04053756
ZINC000002791995
ZINC2791994
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