Vitas-M small molecule compound
3-[(4-tert-butylphenoxy)methyl]-4-methyl-5-[(3-methylbenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK472476
SMILES Cc1cccc(c1)CSc1nnc(n1C)COc1ccc(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/c1-16-7-6-8-17(13-16)15-27-21-24-23-20(25(21)5)14-26-19-11-9-18(10-12-19)22(2,3)4/h6-13H,14-15H2,1-5H3InChIKey
LKCWJUJRIMTXNR-UHFFFAOYSA-NSynonyms
1(TERTBUTYL)4((4METHYL5((3METHYLPHENYL)METHYLTHIO)(124TRIAZOL3YL))METHOXY)BENZENE
3((4tertbutylphenoxy)methyl)4methyl5((3methylbenzyl)sulfanyl)4H124triazole
3((4tertbutylphenoxy)methyl)4methyl5((3methylphenyl)methylsulfanyl)124triazole
CC1=CC(=CC=C1)CSC2=NN=C(N2C)COC3=CC=C(C=C3)C(C)(C)C
InChI=1SC22H27N3OSc11676817(1316)152721242320(25(21)5)14261911918(101219)22(23)4h613H1415H215H3
MFCD07057768
ZINC000017078009
ZINC17078009
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