Vitas-M small molecule compound

5-(1-phenoxyethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445178
SMILES C=CCn1c(nnc1S)C(Oc1ccccc1)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 C13H15N3OS MW 261.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3OS/c1-3-9-16-12(14-15-13(16)18)10(2)17-11-7-5-4-6-8-11/h3-8,10H,1,9H2,2H3,(H,15,18)
InChIKey
OHROLIMVKIAXAR-UHFFFAOYSA-N
Synonyms
669705-40-2
3(1PHENOXYETHYL)4PROP2ENYL1H124TRIAZOLE5THIONE
4ALLYL5(1PHENOXYETHYL)4H124TRIAZOLE3THIOL
5(1PHENOXYETHYL)4(PROP2EN1YL)124TRIAZOLE3THIOL
5(1phenoxyethyl)4(prop2en1yl)4H124triazole3thiol
5(PHENOXYETHYL)4PROP2ENYL124TRIAZOLE3THIOL
669705402
CC(C1=NNC(=S)N1CC=C)OC2=CC=CC=C2
InChI=1SC13H15N3OSc1391612(141513(16)18)10(2)17117546811h3810H19H22H3(H1518)
MFCD04057677
ZINC000002526663
ZINC000006399229

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.