Vitas-M small molecule compound
5-(methoxymethyl)-4-[4-(propan-2-yl)phenyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK445182
SMILES COCc1nnc(n1c1ccc(cc1)C(C)C)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 C13H17N3OS MW 263.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3OS/c1-9(2)10-4-6-11(7-5-10)16-12(8-17-3)14-15-13(16)18/h4-7,9H,8H2,1-3H3,(H,15,18)InChIKey
MWVAYDXBINMXKY-UHFFFAOYSA-NSynonyms
3(methoxymethyl)4(4propan2ylphenyl)1H124triazole5thione
5(METHOXYMETHYL)4(4(METHYLETHYL)PHENYL)124TRIAZOLE3THIOL
5(methoxymethyl)4(4(propan2yl)phenyl)4H124triazole3thiol
CC(C)C1=CC=C(C=C1)N2C(=NNC2=S)COC
InChI=1SC13H17N3OSc19(2)104611(7510)1612(8173)141513(16)18h479H8H213H3(H1518)
MFCD04057766
ZINC000006387286
ZINC06387286
ZINC6387286
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