Vitas-M small molecule compound
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK328997
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)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 C20H23N3O2S MW 369.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3O2S/c26-19-22-21-18(20-9-12-5-13(10-20)7-14(6-12)11-20)23(19)15-1-2-16-17(8-15)25-4-3-24-16/h1-2,8,12-14H,3-7,9-11H2,(H,22,26)InChIKey
JLGLRYUZGSEZCN-UHFFFAOYSA-NSynonyms
878418-96-33(1ADAMANTYL)4(23DIHYDRO14BENZODIOXIN6YL)1H124TRIAZOLE5THIONE
4(23dihydro14benzodioxin6yl)5(tricyclo(3311~37~)dec1yl)4H124triazole3thiol
878418963
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C45CC6CC(C4)CC(C6)C5
InChI=1SC20H23N3O2Sc2619222118(20912513(1020)714(612)1120)23(19)15121617(815)25432416h1281214H37911H2(H2226)
MFCD06617718
ZINC000006445431
ZINC06445431
ZINC6445431
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