Vitas-M small molecule compound
6-[(E)-2-(4-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
STL221389
SMILES Clc1ccc(cc1)/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/c22-17-4-1-13(2-5-17)3-6-18-25-26-19(23-24-20(26)27-18)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,14-16H,7-12H2/b6-3+InChIKey
OKPWZSRVZQUZMN-ZZXKWVIFSA-NSynonyms
3(1adamantyl)6((E)2(4chlorophenyl)ethenyl)(124)triazolo(34b)(134)thiadiazole
6((E)2(4chlorophenyl)ethenyl)3(tricyclo(3311~37~)dec1yl)(124)triazolo(34b)(134)thiadiazole
C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C=CC6=CC=C(C=C6)Cl
Clc1ccc(cc1)C=Cc1nn2c(s1)nnc2C12CC3CC(C2)CC(C1)C3
InChI=1SC21H21ClN4Sc22174113(2517)3618252619(232420(26)2718)211014715(1121)916(814)1221h161416H712H2b63+
ZINC000080346282
ZINC80346282
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