Vitas-M small molecule compound
methyl 9-methyl-2-[3-(5-methyl-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
STL177040
SMILES COC(=O)c1sc2c(c1C)c1nc(nn1cn2)C12CC3CC(C1)CC(C2)(C3)n1nnc(n1)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 C22H24N8O2S MW 464.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N8O2S/c1-11-15-17-24-20(27-29(17)10-23-18(15)33-16(11)19(31)32-3)21-5-13-4-14(6-21)8-22(7-13,9-21)30-26-12(2)25-28-30/h10,13-14H,4-9H2,1-3H3InChIKey
OBWFQLCFULREDG-UHFFFAOYSA-NSynonyms
828298-73-3828298733
CC1=C(SC2=C1C3=NC(=NN3C=N2)C45CC6CC(C4)CC(C6)(C5)N7N=C(N=N7)C)C(=O)OC
InChI=1SC22H24N8O2Sc11115172420(2729(17)102318(15)3316(11)19(31)323)21513414(621)822(713921)302612(2)252830h101314H49H213H3
methyl9methyl2(3(5methyl2Htetrazol2yl)tricyclo(3311~37~)dec1yl)thieno(32e)(124)triazolo(15c)pyrimidine8carboxylate
ZINC000013642819
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