Vitas-M small molecule compound

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-{[3-(trifluoromethyl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol

Catalog ID
STK447175
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)COc1cccc(c1)C(F)(F)F

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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 C18H14F3N3O3S MW 409.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14F3N3O3S/c19-18(20,21)11-2-1-3-13(8-11)27-10-16-22-23-17(28)24(16)12-4-5-14-15(9-12)26-7-6-25-14/h1-5,8-9H,6-7,10H2,(H,23,28)
InChIKey
QAVLOLPBODINRU-UHFFFAOYSA-N
Synonyms

4(23dihydro14benzodioxin6yl)3((3(trifluoromethyl)phenoxy)methyl)1H124triazole5thione
4(23dihydro14benzodioxin6yl)5((3(trifluoromethyl)phenoxy)methyl)4H124triazole3thiol
4(2H3HBENZO(34E)14DIOXAN6YL)5((3(TRIFLUOROMETHYL)PHENOXY)METHYL)124TRIAZOLE3THIOL
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)COC4=CC=CC(=C4)C(F)(F)F
InChI=1SC18H14F3N3O3Sc1918(2021)1121313(811)271016222317(28)24(16)12451415(912)26762514h1589H6710H2(H2328)
MFCD04059546
ZINC000006828899
ZINC06828899
ZINC6828899

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Available files

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