Vitas-M small molecule compound

5-(4-tert-butylphenyl)-4-{[(E)-(4-chlorophenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK596838
SMILES Clc1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(C)(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 C19H19ClN4S MW 370.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN4S/c1-19(2,3)15-8-6-14(7-9-15)17-22-23-18(25)24(17)21-12-13-4-10-16(20)11-5-13/h4-12H,1-3H3,(H,23,25)/b21-12+
InChIKey
QATAIUDEXVGNNO-CIAFOILYSA-N
Synonyms
488718-65-6
3(4TERTBUTYLPHENYL)4((E)(4CHLOROPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
488718656
5(4tertbutylphenyl)4(((E)(4chlorophenyl)methylidene)amino)24dihydro3H124triazole3thione
Clc1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C
InChI=1SC19H19ClN4Sc119(23)158614(7915)17222318(25)24(17)21121341016(20)11513h412H13H3(H2325)b2112+
MFCD07210647
ZINC000005669428
ZINC13940943

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Available files

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