Vitas-M small molecule compound
1-{[6-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Catalog ID
STL221443
SMILES c1ccc2c(c1)n(nn2)Cc1nnc2n1nc(s2)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 C20H21N7S MW 391.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7S/c1-2-4-16-15(3-1)21-25-26(16)11-17-22-23-19-27(17)24-18(28-19)20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,12-14H,5-11H2InChIKey
GOKGYAWCWBSWRX-UHFFFAOYSA-NSynonyms
1((6(1ADAMANTYL)(124)TRIAZOLO(34B)(134)THIADIAZOL3YL)METHYL)1H123BENZOTRIAZOLE
1((6(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazol3yl)methyl)1Hbenzotriazole
6(1adamantyl)3(benzotriazol1ylmethyl)(124)triazolo(34b)(134)thiadiazole
C1C2CC3CC1CC(C2)(C3)C4=NN5C(=NN=C5S4)CN6C7=CC=CC=C7N=N6
InChI=1SC20H21N7Sc1241615(31)212526(16)111722231927(17)2418(2819)20812513(920)714(612)1020h141214H511H2
ZINC000080346521
ZINC80346521
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