Vitas-M small molecule compound

4-{[(E)-biphenyl-4-ylmethylidene]amino}-5-cyclohexyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK571341
SMILES S=c1[nH]nc(n1/N=C/c1ccc(cc1)c1ccccc1)C1CCCCC1

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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/c26-21-24-23-20(19-9-5-2-6-10-19)25(21)22-15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1,3-4,7-8,11-15,19H,2,5-6,9-10H2,(H,24,26)/b22-15+
InChIKey
RZQLHDTZBLJPKZ-PXLXIMEGSA-N
Synonyms
489403-58-9
3cyclohexyl4((E)(4phenylphenyl)methylideneamino)1H124triazole5thione
4(((E)biphenyl4ylmethylidene)amino)5cyclohexyl24dihydro3H124triazole3thione
489403589
InChI=1SC21H22N4Sc2621242320(1995261019)25(21)221516111318(141216)177314817h13478111519H256910H2(H2426)b2215+
MFCD07205102
S=c1(nH)nc(n1N=Cc1ccc(cc1)c1ccccc1)C1CCCCC1
ZINC000009088679
ZINC02700094
ZINC2700094

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.