Vitas-M small molecule compound

methyl 9-methyl-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate

Catalog ID
STL176962
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)CC12CC3CC(C2)CC(C1)C3

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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 C21H24N4O2S MW 396.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O2S/c1-11-16-18-23-15(9-21-6-12-3-13(7-21)5-14(4-12)8-21)24-25(18)10-22-19(16)28-17(11)20(26)27-2/h10,12-14H,3-9H2,1-2H3
InChIKey
ZZEVIEHCTDQODO-UHFFFAOYSA-N
Synonyms
676237-86-8
676237868
CC1=C(SC2=C1C3=NC(=NN3C=N2)CC45CC6CC(C4)CC(C6)C5)C(=O)OC
InChI=1SC21H24N4O2Sc11116182315(921612313(721)514(412)821)2425(18)102219(16)2817(11)20(26)272h101214H39H212H3
methyl9methyl2(tricyclo(3311~37~)dec1ylmethyl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
ZINC000006527676
ZINC06527676
ZINC6527676

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.