Vitas-M small molecule compound
6-[2-(4-chlorophenoxy)propan-2-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
STL221373
SMILES Clc1ccc(cc1)OC(c1nn2c(s1)nnc2C12CC3CC(C2)CC(C1)C3)(C)C
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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 C22H25ClN4OS MW 428.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25ClN4OS/c1-21(2,28-17-5-3-16(23)4-6-17)19-26-27-18(24-25-20(27)29-19)22-10-13-7-14(11-22)9-15(8-13)12-22/h3-6,13-15H,7-12H2,1-2H3InChIKey
BQFCFMKVJWGOSL-UHFFFAOYSA-NSynonyms
3(1adamantyl)6(2(4chlorophenoxy)propan2yl)(124)triazolo(34b)(134)thiadiazole
6(2(4chlorophenoxy)propan2yl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
CC(C)(C1=NN2C(=NN=C2S1)C34CC5CC(C3)CC(C5)C4)OC6=CC=C(C=C6)Cl
InChI=1SC22H25ClN4OSc121(228175316(23)4617)19262718(242520(27)2919)221013714(1122)915(813)1222h361315H712H212H3
ZINC000080346219
ZINC80346219
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