Vitas-M small molecule compound

5-[(3,4-dimethylphenoxy)methyl]-3-(2-oxo-2-phenylethyl)-1,3,4-thiadiazol-2(3H)-iminium

Catalog ID
STK085898
SMILES O=C(c1ccccc1)Cn1nc(sc1=[NH2+])COc1ccc(c(c1)C)C

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C19H20N3O2S MW 354.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O2S/c1-13-8-9-16(10-14(13)2)24-12-18-21-22(19(20)25-18)11-17(23)15-6-4-3-5-7-15/h3-10,20H,11-12H2,1-2H3/p+1
InChIKey
JPINWYYEDRUCEB-UHFFFAOYSA-O
Synonyms

2(2AMINO5((34DIMETHYLPHENOXY)METHYL)134THIADIAZOL3IUM3YL)1PHENYLETHANONE
5((34DIMETHYLPHENOXY)METHYL)3(2OXO2PHENYLETHYL)134THIADIAZOL2(3H)IMINIUM
CC1=C(C=C(C=C1)OCC2=N(N+)(=C(S2)N)CC(=O)C3=CC=CC=C3)C
InChI=1SC19H19N3O2Sc1138916(1014(13)2)2412182122(19(20)2518)1117(23)156435715h31020H1112H212H3p+1
O=C(c1ccccc1)Cn1nc(sc1=(NH2+))COc1ccc(c(c1)C)C
STK085898
ZINC000004672838
ZINC33736281

Check stock

See real-time availability and sample size for STK085898 on the Vitas-M platform.

Check stock on Vitas-M

Available files

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