Vitas-M small molecule compound
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
Catalog ID
STK784266
SMILES Oc1cccc(c1)c1nnc(n1c1ccc2c(c1)OCCO2)S
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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 C16H13N3O3S MW 327.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O3S/c20-12-3-1-2-10(8-12)15-17-18-16(23)19(15)11-4-5-13-14(9-11)22-7-6-21-13/h1-5,8-9,20H,6-7H2,(H,18,23)InChIKey
JEKIFNSXQFSNHX-UHFFFAOYSA-NSynonyms
3(4(23dihydro14benzodioxin6yl)5sulfanyl4H124triazol3yl)phenol
4(23DIHYDRO14BENZODIOXIN6YL)3(3HYDROXYPHENYL)1H124TRIAZOLE5THIONE
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC(=CC=C4)O
InChI=1SC16H13N3O3Sc201231210(812)15171816(23)19(15)11451314(911)22762113h158920H67H2(H1823)
MFCD06753201
PHENOL3(4(23DIHYDRO14BENZODIOXIN6YL)5MERCAPTO4H124TRIAZOL3YL)
ZINC000006444673
ZINC6444673
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