Vitas-M small molecule compound
2-[(E)-{[3-(3-chlorophenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]-5-(diethylammonio)phenolate
Catalog ID
STL041231
SMILES CC[NH+](c1ccc(c(c1)[O-])/C=N/n1c(=S)[nH]nc1c1cccc(c1)Cl)CC
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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 C19H20ClN5OS MW 401.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20ClN5OS/c1-3-24(4-2)16-9-8-14(17(26)11-16)12-21-25-18(22-23-19(25)27)13-6-5-7-15(20)10-13/h5-12,26H,3-4H2,1-2H3,(H,23,27)/b21-12+InChIKey
OFWUHDMAQIIHPW-CIAFOILYSA-NSynonyms
478254-95-42((E)((3(3chlorophenyl)5thioxo15dihydro4H124triazol4yl)imino)methyl)5(diethylammonio)phenolate
2((E)(3(3CHLOROPHENYL)5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)5(DIETHYLAZANIUMYL)PHENOLATE
478254954
CC(NH+)(c1ccc(c(c1)(O))C=Nn1c(=S)(nH)nc1c1cccc(c1)Cl)CC
CC(NH+)(CC)C1=CC(=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=CC=C3)Cl)(O)
InChI=1SC19H20ClN5OSc1324(42)169814(17(26)1116)12212518(222319(25)27)1365715(20)1013h51226H34H212H3(H2327)b2112+
MFCD18248082
ZINC000005643981
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