Vitas-M small molecule compound
6-[(E)-2-(3-chlorophenyl)ethenyl]-3-(tricyclo[3.3.1.1~3,7~]dec-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Catalog ID
STL221388
SMILES Clc1cccc(c1)/C=C/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 C21H21ClN4S MW 396.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4S/c22-17-3-1-2-13(9-17)4-5-18-25-26-19(23-24-20(26)27-18)21-10-14-6-15(11-21)8-16(7-14)12-21/h1-5,9,14-16H,6-8,10-12H2/b5-4+InChIKey
AAACQXCOJRJYKP-SNAWJCMRSA-NSynonyms
3(1adamantyl)6((E)2(3chlorophenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
6((E)2(3chlorophenyl)ethenyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C=CC6=CC(=CC=C6)Cl
Clc1cccc(c1)C=Cc1nn2c(s1)nnc2C12CC3CC(C2)CC(C1)C3
InChI=1SC21H21ClN4Sc221731213(917)4518252619(232420(26)2718)211014615(1121)816(714)1221h1591416H681012H2b54+
ZINC000080346278
ZINC80346278
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