Vitas-M small molecule compound

4-methyl-5-{[4-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK411826
SMILES CC(c1ccc(cc1)OCc1nnc(n1C)S)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 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)17-8-12-14-15-13(18)16(12)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKey
FFVYNISIQOIZET-UHFFFAOYSA-N
Synonyms
667414-35-9
4METHYL3((4PROPAN2YLPHENOXY)METHYL)1H124TRIAZOLE5THIONE
4METHYL5((4(METHYLETHYL)PHENOXY)METHYL)124TRIAZOLE3THIOL
4methyl5((4(propan2yl)phenoxy)methyl)4H124triazole3thiol
5((4ISOPROPYLPHENOXY)METHYL)4METHYL4H124TRIAZOLE3THIOL
5(4ISOPROPYLPHENOXYMETHYL)4METHYL124TRIAZOLE3THIOL
5(4ISOPROPYLPHENOXYMETHYL)4METHYL4H(124)TRIAZOLE3THIOL
667414359
CC(C)C1=CC=C(C=C1)OCC2=NNC(=S)N2C
InChI=1SC13H17N3OSc19(2)104611(7510)17812141513(18)16(12)3h479H8H213H3(H1518)
MFCD04054718
ZINC000005444192
ZINC05444192
ZINC5444192

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Available files

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