Vitas-M small molecule compound
5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK333892
SMILES COc1ccc(cc1)c1n[nH]c(c1)c1nnc(n1c1cccc2c1cccc2)S
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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 C22H17N5OS MW 399.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5OS/c1-28-16-11-9-15(10-12-16)18-13-19(24-23-18)21-25-26-22(29)27(21)20-8-4-6-14-5-2-3-7-17(14)20/h2-13H,1H3,(H,23,24)(H,26,29)InChIKey
JKMKHPDQLYERTO-UHFFFAOYSA-NSynonyms
955876-83-23(3(4METHOXYPHENYL)1HPYRAZOL5YL)4NAPHTHALEN1YL1H124TRIAZOLE5THIONE
5(3(4METHOXYPHENYL)1HPYRAZOL5YL)4(1NAPHTHYL)4H124TRIAZOLE3THIOL
5(3(4methoxyphenyl)1Hpyrazol5yl)4(naphthalen1yl)4H124triazole3thiol
COC1=CC=C(C=C1)C2=NNC(=C2)C3=NNC(=S)N3C4=CC=CC5=CC=CC=C54
COc1ccc(cc1)c1n(nH)c(c1)c1nnc(n1c1cccc2c1cccc2)S
InChI=1SC22H17N5OSc1281611915(101216)181319(242318)21252622(29)27(21)2084614523717(14)20h213H1H3(H2324)(H2629)
MFCD03670111
ZINC00809522
ZINC8567420
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