Vitas-M small molecule compound

2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroxyphenyl)ethanone

Catalog ID
STK570501
SMILES CCn1c(SCC(=O)c2ccc(c(c2)O)O)nnc1c1ccc(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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-5-25-20(14-6-9-16(10-7-14)22(2,3)4)23-24-21(25)29-13-19(28)15-8-11-17(26)18(27)12-15/h6-12,26-27H,5,13H2,1-4H3
InChIKey
VKUBEWJOYMKTDO-UHFFFAOYSA-N
Synonyms
713087-85-5
1(34DIHYDROXYPHENYL)2(5(4(TERTBUTYL)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ETHAN1ONE
2((5(4(tertbutyl)phenyl)4ethyl4H124triazol3yl)thio)1(34dihydroxyphenyl)ethanone
2((5(4TERTBUTYLPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHANONE
2((5(4TERTBUTYLPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(34DIHYDROXYPHENYL)ETHAN1ONE
2((5(4tertbutylphenyl)4ethyl4H124triazol3yl)sulfanyl)1(34dihydroxyphenyl)ethanone
713087855
CCN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=C(C=C3)C(C)(C)C
InChI=1SC22H25N3O3Sc152520(146916(10714)22(23)4)232421(25)291319(28)1581117(26)18(27)1215h6122627H513H214H3
MFCD05678041
ZINC000005295766
ZINC05295766
ZINC5295766

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Available files

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