Vitas-M small molecule compound

4-{5-[(4-tert-butyl-2,6-dimethylbenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}aniline

Catalog ID
STK126201
SMILES CCn1c(SCc2c(C)cc(cc2C)C(C)(C)C)nnc1c1ccc(cc1)N

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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 C23H30N4S MW 394.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4S/c1-7-27-21(17-8-10-19(24)11-9-17)25-26-22(27)28-14-20-15(2)12-18(13-16(20)3)23(4,5)6/h8-13H,7,14,24H2,1-6H3
InChIKey
BUNGXUKHKPKVOG-UHFFFAOYSA-N
Synonyms

4(5((4TERTBUTYL26DIMETHYLBENZYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ANILINE
4(5((4TERTBUTYL26DIMETHYLPHENYL)METHYLSULFANYL)4ETHYL124TRIAZOL3YL)ANILINE
CCN1C(=NN=C1SCC2=C(C=C(C=C2C)C(C)(C)C)C)C3=CC=C(C=C3)N
InChI=1SC23H30N4Sc172721(1781019(24)11917)252622(27)28142015(2)1218(1316(20)3)23(45)6h813H71424H216H3
MFCD03995778
ZINC000002836222
ZINC02836222
ZINC2836222

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Available files

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