Vitas-M small molecule compound

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

Catalog ID
STK575785
SMILES CC(c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccc(cc1)C(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 C22H26N4S MW 378.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N4S/c1-15(2)17-8-6-16(7-9-17)14-23-26-20(24-25-21(26)27)18-10-12-19(13-11-18)22(3,4)5/h6-15H,1-5H3,(H,25,27)/b23-14+
InChIKey
IAUGONACZZNFGD-OEAKJJBVSA-N
Synonyms
489464-70-2
3(4TERTBUTYLPHENYL)4((E)(4PROPAN2YLPHENYL)METHYLIDENEAMINO)1H124TRIAZOLE5THIONE
489464702
5(4tertbutylphenyl)4(((E)(4(propan2yl)phenyl)methylidene)amino)24dihydro3H124triazole3thione
CC(c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccc(cc1)C(C)(C)C)C
InChI=1SC22H26N4Sc115(2)178616(7917)14232620(242521(26)27)18101219(131118)22(34)5h615H15H3(H2527)b2314+
MFCD07197345
ZINC000005690138
ZINC02284331
ZINC2284331

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Available files

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