Vitas-M small molecule compound
3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL193435
SMILES COc1cc(cc(c1OC)OC)c1sc2n(n1)c(nn2)C12CC3CC(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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-27-16-7-15(8-17(28-2)18(16)29-3)19-25-26-20(23-24-21(26)30-19)22-9-12-4-13(10-22)6-14(5-12)11-22/h7-8,12-14H,4-6,9-11H2,1-3H3InChIKey
SIMIFYRKANMGPU-UHFFFAOYSA-NSynonyms
3(1ADAMANTYL)6(345TRIMETHOXYPHENYL)(124)TRIAZOLO(34B)(134)THIADIAZOLE
3(tricyclo(3311~37~)dec1yl)6(345trimethoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5
InChI=1SC22H26N4O3Sc12716715(817(282)18(16)293)19252620(232421(26)3019)22912413(1022)614(512)1122h781214H46911H213H3
MFCD22391030
ZINC000072333548
ZINC72333548
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