Vitas-M small molecule compound

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

Catalog ID
STL193443
SMILES Cc1ccc(cc1C)Cc1nn2c(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 C22H26N4S MW 378.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4S/c1-13-3-4-15(5-14(13)2)9-19-25-26-20(23-24-21(26)27-19)22-10-16-6-17(11-22)8-18(7-16)12-22/h3-5,16-18H,6-12H2,1-2H3
InChIKey
BUPPYOXCKIEJEJ-UHFFFAOYSA-N
Synonyms

3(1adamantyl)6((34dimethylphenyl)methyl)(124)triazolo(34b)(134)thiadiazole
6(34dimethylbenzyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
CC1=C(C=C(C=C1)CC2=NN3C(=NN=C3S2)C45CC6CC(C4)CC(C6)C5)C
InChI=1SC22H26N4Sc1133415(514(13)2)919252620(232421(26)2719)221016617(1122)818(716)1222h351618H612H212H3
MFCD22391038
ZINC000072333556
ZINC72333556

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Available files

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