Vitas-M small molecule compound

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

Catalog ID
STK562197
SMILES COc1cc(/C=N/n2c(=S)[nH]nc2c2ccc(cc2)C(C)(C)C)cc(c1OC)OC

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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 C22H26N4O3S MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4O3S/c1-22(2,3)16-9-7-15(8-10-16)20-24-25-21(30)26(20)23-13-14-11-17(27-4)19(29-6)18(12-14)28-5/h7-13H,1-6H3,(H,25,30)/b23-13+
InChIKey
HXVQQOCDRCTVGT-YDZHTSKRSA-N
Synonyms

3(4TERTBUTYLPHENYL)4((E)(345TRIMETHOXYPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
4((1E)2(345TRIMETHOXYPHENYL)1AZAVINYL)5(4(TERTBUTYL)PHENYL)124TRIAZOLE3THIOL
5(4tertbutylphenyl)4(((E)(345trimethoxyphenyl)methylidene)amino)24dihydro3H124triazole3thione
COc1cc(C=Nn2c(=S)(nH)nc2c2ccc(cc2)C(C)(C)C)cc(c1OC)OC
InChI=1SC22H26N4O3Sc122(23)169715(81016)20242521(30)26(20)2313141117(274)19(296)18(1214)285h713H16H3(H2530)b2313+
MFCD03797501
ZINC000001473668
ZINC12465332

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Available files

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