Vitas-M small molecule compound
3-[(4-tert-butylbenzyl)sulfanyl]-4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole
Catalog ID
STK120704
SMILES Cn1c(nnc1COc1ccccc1C)SCc1ccc(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 C22H27N3OS MW 381.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3OS/c1-16-8-6-7-9-19(16)26-14-20-23-24-21(25(20)5)27-15-17-10-12-18(13-11-17)22(2,3)4/h6-13H,14-15H2,1-5H3InChIKey
IHOSFOOJDAITQA-UHFFFAOYSA-NSynonyms
3((4TERTBUTYLBENZYL)SULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOLE
3((4TERTBUTYLPHENYL)METHYLSULFANYL)4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOLE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)(C)C
InChI=1SC22H27N3OSc116867919(16)261420232421(25(20)5)271517101218(131117)22(23)4h613H1415H215H3
MFCD03996169
ZINC000001144352
ZINC01144352
ZINC1144352
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