Vitas-M small molecule compound
5-(4-tert-butylphenyl)-4-{[(1E,2E)-3-phenylprop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK560818
SMILES CC(c1ccc(cc1)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1)(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 C21H22N4S MW 362.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4S/c1-21(2,3)18-13-11-17(12-14-18)19-23-24-20(26)25(19)22-15-7-10-16-8-5-4-6-9-16/h4-15H,1-3H3,(H,24,26)/b10-7+,22-15+InChIKey
GWCRIJXFHJDDAE-AWFLEDEYSA-NSynonyms
497078-56-53(4TERTBUTYLPHENYL)4((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
497078565
5(4tertbutylphenyl)4(((1E2E)3phenylprop2en1ylidene)amino)24dihydro3H124triazole3thione
CC(c1ccc(cc1)c1n(nH)c(=S)n1N=CC=Cc1ccccc1)(C)C
InChI=1SC21H22N4Sc121(23)18131117(121418)19232420(26)25(19)2215710168546916h415H13H3(H2426)b107+2215+
MFCD03815493
ZINC000002318545
ZINC12466426
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