Vitas-M small molecule compound
1-(2,4-dichlorobenzyl)-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-thiolate
Catalog ID
STK678757
SMILES Clc1ccc(c(c1)Cl)Cn1nc[n+]2c1c([S-])cc(n2)C
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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 C13H10Cl2N4S MW 325.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10Cl2N4S/c1-8-4-12(20)13-18(16-7-19(13)17-8)6-9-2-3-10(14)5-11(9)15/h2-5,7H,6H2,1H3InChIKey
OZZTVMBSHSAVBK-UHFFFAOYSA-NSynonyms
1((24DICHLOROPHENYL)METHYL)6METHYL(124)TRIAZOLO(43B)PYRIDAZIN4IUM8THIOLATE
1(24dichlorobenzyl)6methyl1H(124)triazolo(43b)pyridazin4ium8thiolate
CC1=N(N+)2=C(C(=C1)(S))N(N=C2)CC3=C(C=C(C=C3)Cl)Cl
Clc1ccc(c(c1)Cl)Cn1nc(n+)2c1c((S))cc(n2)C
InChI=1SC13H10Cl2N4Sc18412(20)1318(16719(13)178)692310(14)511(9)15h257H6H21H3
MFCD00421025
ZINC000012445692
ZINC00093098
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