Vitas-M small molecule compound

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Catalog ID
STL221394
SMILES C1COc2c(O1)cc(cc2)c1nn2c(s1)nnc2C12CC3CC(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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-2-16-17(27-4-3-26-16)8-15(1)18-24-25-19(22-23-20(25)28-18)21-9-12-5-13(10-21)7-14(6-12)11-21/h1-2,8,12-14H,3-7,9-11H2
InChIKey
FSAWWBVBALPWOS-UHFFFAOYSA-N
Synonyms

3(1adamantyl)6(23dihydro14benzodioxin6yl)(124)triazolo(34b)(134)thiadiazole
6(23dihydro14benzodioxin6yl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
C1COC2=C(O1)C=CC(=C2)C3=NN4C(=NN=C4S3)C56CC7CC(C5)CC(C7)C6
InChI=1SC21H22N4O2Sc121617(27432616)815(1)18242519(222320(25)2818)21912513(1021)714(612)1121h1281214H37911H2
ZINC000080346299
ZINC80346299

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Available files

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