Vitas-M small molecule compound
4-methyl-3-[(2-methylphenoxy)methyl]-5-[(2,4,6-trimethylbenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK125849
SMILES Cc1cc(C)c(c(c1)C)CSc1nnc(n1C)COc1ccccc1C
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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 C21H25N3OS MW 367.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3OS/c1-14-10-16(3)18(17(4)11-14)13-26-21-23-22-20(24(21)5)12-25-19-9-7-6-8-15(19)2/h6-11H,12-13H2,1-5H3InChIKey
HFIIIHFCGCUMQC-UHFFFAOYSA-NSynonyms
4METHYL3((2METHYLPHENOXY)METHYL)5((246TRIMETHYLBENZYL)SULFANYL)4H124TRIAZOLE
4METHYL3((2METHYLPHENOXY)METHYL)5((246TRIMETHYLPHENYL)METHYLSULFANYL)124TRIAZOLE
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC3=C(C=C(C=C3C)C)C
InChI=1SC21H25N3OSc1141016(3)18(17(4)1114)132621232220(24(21)5)122519976815(19)2h611H1213H215H3
MFCD03995474
ZINC000001142446
ZINC01142446
ZINC1142446
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