Vitas-M small molecule compound
5-[(2,4-difluorophenoxy)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447158
SMILES Fc1ccc(c(c1)F)OCc1nnc(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 C17H13F2N3O3S MW 377.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13F2N3O3S/c18-10-1-3-13(12(19)7-10)25-9-16-20-21-17(26)22(16)11-2-4-14-15(8-11)24-6-5-23-14/h1-4,7-8H,5-6,9H2,(H,21,26)InChIKey
LCWADVCREHZVDD-UHFFFAOYSA-NSynonyms
3((24difluorophenoxy)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((24DIFLUOROPHENOXY)METHYL)124TRIAZOLE3THIOL
5((24difluorophenoxy)methyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=C(C=C(C=C4)F)F
InChI=1SC17H13F2N3O3Sc18101313(12(19)710)25916202117(26)22(16)11241415(811)24652314h1478H569H2(H2126)
MFCD04059831
ZINC000006402652
ZINC06402652
ZINC6402652
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