Vitas-M small molecule compound
1-(4-chlorobenzyl)-7-ethyl-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-olate
Catalog ID
STK674690
SMILES CCc1c(C)n[n+]2c(c1[O-])n(nc2)Cc1ccc(cc1)Cl
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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 C15H15ClN4O MW 302.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15ClN4O/c1-3-13-10(2)18-20-9-17-19(15(20)14(13)21)8-11-4-6-12(16)7-5-11/h4-7,9H,3,8H2,1-2H3InChIKey
LLBAMOJKYWQNOG-UHFFFAOYSA-NSynonyms
1((4CHLOROPHENYL)METHYL)7ETHYL6METHYL(124)TRIAZOLO(43B)PYRIDAZIN4IUM8OLATE
1(4chlorobenzyl)7ethyl6methyl1H(124)triazolo(43b)pyridazin4ium8olate
CCC1=C(C2=(N+)(C=NN2CC3=CC=C(C=C3)Cl)N=C1C)(O)
CCc1c(C)n(n+)2c(c1(O))n(nc2)Cc1ccc(cc1)Cl
InChI=1SC15H15ClN4Oc131310(2)182091719(15(20)14(13)21)8114612(16)7511h479H38H212H3
MFCD00851961
ZINC000012413162
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