Vitas-M small molecule compound
6-benzyl-3-({[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-1,2,4-triazin-5-ol
Catalog ID
STL011328
SMILES Oc1nc(SCc2nnnn2c2ccc(c(c2)Cl)Cl)nnc1Cc1ccccc1
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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 C18H13Cl2N7OS MW 446.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13Cl2N7OS/c19-13-7-6-12(9-14(13)20)27-16(23-25-26-27)10-29-18-21-17(28)15(22-24-18)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H,21,24,28)InChIKey
IGLMMMPVIUALSO-UHFFFAOYSA-NSynonyms
912899-48-06benzyl3(((1(34dichlorophenyl)1Htetrazol5yl)methyl)sulfanyl)124triazin5ol
6benzyl3(((1(34dichlorophenyl)1Htetrazol5yl)methyl)thio)124triazin5ol
6benzyl3((1(34dichlorophenyl)tetrazol5yl)methylsulfanyl)2H124triazin5one
912899480
C1=CC=C(C=C1)CC2=NNC(=NC2=O)SCC3=NN=NN3C4=CC(=C(C=C4)Cl)Cl
InChI=1SC18H13Cl2N7OSc19137612(914(13)20)2716(23252627)1029182117(28)15(222418)8114213511h179H810H2(H212428)
MFCD08748392
ZINC000009341012
ZINC9341012
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