Vitas-M small molecule compound
methyl 9-methyl-2-[3-(2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Catalog ID
STL177041
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)C12CC3CC(C1)CC(C2)(C3)n1nncn1
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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 C21H22N8O2S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N8O2S/c1-11-14-16-25-19(26-28(16)10-22-17(14)32-15(11)18(30)31-2)20-4-12-3-13(5-20)7-21(6-12,8-20)29-24-9-23-27-29/h9-10,12-13H,3-8H2,1-2H3InChIKey
QLNCHSUAFLQPTO-UHFFFAOYSA-NSynonyms
832134-90-4832134904
CC1=C(SC2=C1C3=NC(=NN3C=N2)C45CC6CC(C4)CC(C6)(C5)N7N=CN=N7)C(=O)OC
InChI=1SC21H22N8O2Sc11114162519(2628(16)102217(14)3215(11)18(30)312)20412313(520)721(612820)29249232729h9101213H38H212H3
methyl9methyl2(3(2Htetrazol2yl)tricyclo(3311~37~)dec1yl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
ZINC000013642877
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Check stock on Vitas-MAvailable files
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