Vitas-M small molecule compound
6-(2,6-dimethoxyphenyl)-3-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL055137
SMILES COc1cccc(c1c1nn2c(s1)nnc2c1[nH]nc2c1CCC2)OC
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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 C17H16N6O2S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N6O2S/c1-24-11-7-4-8-12(25-2)13(11)16-22-23-15(20-21-17(23)26-16)14-9-5-3-6-10(9)18-19-14/h4,7-8H,3,5-6H2,1-2H3,(H,18,19)InChIKey
SEKRNLFMCNXIDL-UHFFFAOYSA-NSynonyms
877806-86-513DIMETHOXY2(3(456TRIHYDROCYCLOPENTA(21D)PYRAZOL3YL)(124TRIAZOLO(34B)134THIADIAZOLIN6YL))BENZENE
3(1H4H5H6HCYCLOPENTA(C)PYRAZOL3YL)6(26DIMETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
6(26dimethoxyphenyl)3(1456tetrahydrocyclopenta(c)pyrazol3yl)(124)triazolo(34b)(134)thiadiazole
6(26dimethoxyphenyl)3(2456tetrahydrocyclopenta(c)pyrazol3yl)(124)triazolo(34b)(134)thiadiazole
877806865
COC1=C(C(=CC=C1)OC)C2=NN3C(=NN=C3S2)C4=NNC5=C4CCC5
COc1cccc(c1c1nn2c(s1)nnc2c1(nH)nc2c1CCC2)OC
InChI=1SC17H16N6O2Sc1241174812(252)13(11)16222315(202117(23)2616)14953610(9)181914h478H356H212H3(H1819)
MFCD05730229
ZINC000005461887
ZINC05461887
ZINC5461887
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