Vitas-M small molecule compound
4-{5-[(4-tert-butylbenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}aniline
Catalog ID
STK126331
SMILES CCn1c(SCc2ccc(cc2)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 C21H26N4S MW 366.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4S/c1-5-25-19(16-8-12-18(22)13-9-16)23-24-20(25)26-14-15-6-10-17(11-7-15)21(2,3)4/h6-13H,5,14,22H2,1-4H3InChIKey
QMMOFYUOOCYUQZ-UHFFFAOYSA-NSynonyms
4(5((4TERTBUTYLBENZYL)SULFANYL)4ETHYL4H124TRIAZOL3YL)ANILINE
4(5((4TERTBUTYLPHENYL)METHYLSULFANYL)4ETHYL124TRIAZOL3YL)ANILINE
CCN1C(=NN=C1SCC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)N
InChI=1SC21H26N4Sc152519(1681218(22)13916)232420(25)26141561017(11715)21(23)4h613H51422H214H3
MFCD03864094
ZINC000000679526
ZINC00679526
ZINC679526
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