Vitas-M small molecule compound
5-(5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}furan-2-yl)-4-propyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK466165
SMILES CCCn1c(S)nnc1c1ccc(o1)COc1cc(C)ccc1C(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 C20H25N3O2S MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O2S/c1-5-10-23-19(21-22-20(23)26)17-9-7-15(25-17)12-24-18-11-14(4)6-8-16(18)13(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,22,26)InChIKey
OPHYRLVJDCRDGQ-UHFFFAOYSA-NSynonyms
3(5((5methyl2propan2ylphenoxy)methyl)furan2yl)4propyl1H124triazole5thione
5(5((5METHYL2(METHYLETHYL)PHENOXY)METHYL)(2FURYL))4PROPYL124TRIAZOLE3THIOL
5(5((5methyl2(propan2yl)phenoxy)methyl)furan2yl)4propyl4H124triazole3thiol
CCCN1C(=NNC1=S)C2=CC=C(O2)COC3=C(C=CC(=C3)C)C(C)C
InChI=1SC20H25N3O2Sc15102319(212220(23)26)179715(2517)1224181114(4)6816(18)13(2)3h691113H51012H214H3(H2226)
MFCD06759380
ZINC000017076138
ZINC17076138
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