Vitas-M small molecule compound
2-[4-benzyl-3-(phenoxymethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
Catalog ID
STL272143
SMILES O=C(c1ccc2c(c1)OCCO2)Cn1nc(n(c1=S)Cc1ccccc1)COc1ccccc1
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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 C26H23N3O4S MW 473.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S/c30-22(20-11-12-23-24(15-20)32-14-13-31-23)17-29-26(34)28(16-19-7-3-1-4-8-19)25(27-29)18-33-21-9-5-2-6-10-21/h1-12,15H,13-14,16-18H2InChIKey
LHHNOGDJGBZPBT-UHFFFAOYSA-NSynonyms
1(2H3HBENZO(34E)14DIOXIN6YL)2(4BENZYL3(PHENOXYMETHYL)5THIOXO(124TRIAZOLINYL))ETHAN1ONE
2(4BENZYL3(PHENOXYMETHYL)5SULFANYLIDENE124TRIAZOL1YL)1(23DIHYDRO14BENZODIOXIN6YL)ETHANONE
2(4benzyl3(phenoxymethyl)5thioxo45dihydro1H124triazol1yl)1(23dihydro14benzodioxin6yl)ethanone
C1COC2=C(O1)C=CC(=C2)C(=O)CN3C(=S)N(C(=N3)COC4=CC=CC=C4)CC5=CC=CC=C5
InChI=1SC26H23N3O4Sc3022(2011122324(1520)3214133123)172926(34)28(16197314819)25(2729)18332195261021h11215H13141618H2
MFCD06736407
ZINC000016769067
ZINC16769067
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