Vitas-M small molecule compound

5-(biphenyl-4-ylmethyl)-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK448369
SMILES COCCCn1c(nnc1S)Cc1ccc(cc1)c1ccccc1

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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 C19H21N3OS MW 339.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3OS/c1-23-13-5-12-22-18(20-21-19(22)24)14-15-8-10-17(11-9-15)16-6-3-2-4-7-16/h2-4,6-11H,5,12-14H2,1H3,(H,21,24)
InChIKey
UTAYJPJRFGZBOP-UHFFFAOYSA-N
Synonyms

4(3methoxypropyl)3((4phenylphenyl)methyl)1H124triazole5thione
4(3METHOXYPROPYL)5((4PHENYLPHENYL)METHYL)124TRIAZOLE3THIOL
5(biphenyl4ylmethyl)4(3methoxypropyl)4H124triazole3thiol
COCCCN1C(=NNC1=S)CC2=CC=C(C=C2)C3=CC=CC=C3
InChI=1SC19H21N3OSc123135122218(202119(22)24)141581017(11915)166324716h24611H51214H21H3(H2124)
MFCD04141244
ZINC000017071140
ZINC17071140

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Available files

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