Vitas-M small molecule compound
5-[1-(2-chloro-4-fluorophenoxy)ethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447366
SMILES Fc1ccc(c(c1)Cl)OC(c1nnc(n1c1ccc2c(c1)OCCO2)S)C
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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 C18H15ClFN3O3S MW 407.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClFN3O3S/c1-10(26-14-4-2-11(20)8-13(14)19)17-21-22-18(27)23(17)12-3-5-15-16(9-12)25-7-6-24-15/h2-5,8-10H,6-7H2,1H3,(H,22,27)InChIKey
ZGSRZFGOHSYDOJ-UHFFFAOYSA-NSynonyms
3(1(2chloro4fluorophenoxy)ethyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((2CHLORO4FLUOROPHENOXY)ETHYL)124TRIAZOLE3THIOL
5(1(2chloro4fluorophenoxy)ethyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
CC(C1=NNC(=S)N1C2=CC3=C(C=C2)OCCO3)OC4=C(C=C(C=C4)F)Cl
InChI=1SC18H15ClFN3O3Sc110(26144211(20)813(14)19)17212218(27)23(17)12351516(912)25762415h25810H67H21H3(H2227)
MFCD04059643
ZINC000006399011
ZINC000006399232
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