Vitas-M small molecule compound
3-(5-chloro-2-methoxyphenyl)-6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STK693965
SMILES COc1ccc(cc1c1nnc2n1nc(s2)C12CC3CC(C2)CC(C1)C3)Cl
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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 C20H21ClN4OS MW 400.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4OS/c1-26-16-3-2-14(21)7-15(16)17-22-23-19-25(17)24-18(27-19)20-8-11-4-12(9-20)6-13(5-11)10-20/h2-3,7,11-13H,4-6,8-10H2,1H3InChIKey
HREOEPZKQJVQIA-UHFFFAOYSA-NSynonyms
3(5chloro2methoxyphenyl)6(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
6(1adamantyl)3(5chloro2methoxyphenyl)(124)triazolo(34b)(134)thiadiazole
COC1=C(C=C(C=C1)Cl)C2=NN=C3N2N=C(S3)C45CC6CC(C4)CC(C6)C5
InChI=1SC20H21ClN4OSc126163214(21)715(16)1722231925(17)2418(2719)20811412(920)613(511)1020h2371113H46810H21H3
ZINC000015109536
ZINC15109536
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