Vitas-M small molecule compound
5-(2-chlorophenyl)-4-methyl-2-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK663527
SMILES Clc1ccccc1c1nn(c(=S)n1C)CN1CCN(CC1)c1cccc(c1)C(F)(F)F
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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 C21H21ClF3N5S MW 467.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClF3N5S/c1-27-19(17-7-2-3-8-18(17)22)26-30(20(27)31)14-28-9-11-29(12-10-28)16-6-4-5-15(13-16)21(23,24)25/h2-8,13H,9-12,14H2,1H3InChIKey
BLXRJHCNWQZUQE-UHFFFAOYSA-NSynonyms
5(2CHLOROPHENYL)4METHYL2((4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)METHYL)124TRIAZOLE3THIONE
5(2chlorophenyl)4methyl2((4(3(trifluoromethyl)phenyl)piperazin1yl)methyl)24dihydro3H124triazole3thione
CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4Cl
InChI=1SC21H21ClF3N5Sc12719(17723818(17)22)2630(20(27)31)142891129(121028)1664515(1316)21(2324)25h2813H91214H21H3
MFCD01304920
ZINC000055190155
ZINC55190155
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