Vitas-M small molecule compound

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

Catalog ID
STK450291
SMILES COCCCn1c(CC(c2ccccc2)c2ccccc2)nnc1S

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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 C20H23N3OS MW 353.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N3OS/c1-24-14-8-13-23-19(21-22-20(23)25)15-18(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,18H,8,13-15H2,1H3,(H,22,25)
InChIKey
MANQYCZGMIIODB-UHFFFAOYSA-N
Synonyms

3(22diphenylethyl)4(3methoxypropyl)1H124triazole5thione
5(22DIPHENYLETHYL)4(3METHOXYPROPYL)124TRIAZOLE3THIOL
5(22diphenylethyl)4(3methoxypropyl)4H124triazole3thiol
COCCCN1C(=NNC1=S)CC(C2=CC=CC=C2)C3=CC=CC=C3
InChI=1SC20H23N3OSc124148132319(212220(23)25)1518(1694251016)17116371217h2791218H81315H21H3(H2225)
MFCD06194981
ZINC000017073229
ZINC17073229

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Available files

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