Vitas-M small molecule compound
methyl 2-[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]-9-methylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177044
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)C12CC3CC(C1)CC(C2)(C3)n1cnc(n1)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 C22H22ClN7O2S MW 483.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN7O2S/c1-11-14-16-26-19(27-29(16)9-24-17(14)33-15(11)18(31)32-2)21-4-12-3-13(5-21)7-22(6-12,8-21)30-10-25-20(23)28-30/h9-10,12-13H,3-8H2,1-2H3InChIKey
PCXJPZJRJVHCSE-UHFFFAOYSA-NSynonyms
CC1=C(SC2=C1C3=NC(=NN3C=N2)C45CC6CC(C4)CC(C6)(C5)N7C=NC(=N7)Cl)C(=O)OC
InChI=1SC22H22ClN7O2Sc11114162619(2729(16)92417(14)3315(11)18(31)322)21412313(521)722(612821)30102520(23)2830h9101213H38H212H3
methyl2(3(3chloro1H124triazol1yl)tricyclo(3311~37~)dec1yl)9methylthieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
ZINC000013642843
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Check stock on Vitas-MAvailable files
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