Vitas-M small molecule compound

2-{5-[(4-tert-butylbenzyl)sulfanyl]-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl}pyrazine

Catalog ID
STK587798
SMILES Cc1ccc(cc1)n1c(SCc2ccc(cc2)C(C)(C)C)nnc1c1cnccn1

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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 C24H25N5S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5S/c1-17-5-11-20(12-6-17)29-22(21-15-25-13-14-26-21)27-28-23(29)30-16-18-7-9-19(10-8-18)24(2,3)4/h5-15H,16H2,1-4H3
InChIKey
PTSNRFREGDZWED-UHFFFAOYSA-N
Synonyms
899388-18-2
2(5(((4TERTBUTYLPHENYL)METHYL)SULFANYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)PYRAZINE
2(5((4(tertbutyl)benzyl)thio)4(ptolyl)4H124triazol3yl)pyrazine
2(5((4tertbutylbenzyl)sulfanyl)4(4methylphenyl)4H124triazol3yl)pyrazine
2(5((4TERTBUTYLPHENYL)METHYLSULFANYL)4(4METHYLPHENYL)124TRIAZOL3YL)PYRAZINE
3((4(TERTBUTYL)PHENYL)METHYLTHIO)4(4METHYLPHENYL)5PYRAZIN2YL124TRIAZOLE
899388182
CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(C)(C)C)C4=NC=CN=C4
InChI=1SC24H25N5Sc11751120(12617)2922(21152513142621)272823(29)3016187919(10818)24(23)4h515H16H214H3
MFCD06608489
ZINC000002340145
ZINC02340145
ZINC2340145

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Available files

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