Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Catalog ID
STL406068
SMILES Cn1c(SCCOc2ccccc2F)nnc1c1ccc2c(c1)OCCCO2
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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 C20H20FN3O3S MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O3S/c1-24-19(14-7-8-17-18(13-14)26-10-4-9-25-17)22-23-20(24)28-12-11-27-16-6-3-2-5-15(16)21/h2-3,5-8,13H,4,9-12H2,1H3InChIKey
RMDMLDRYJDCLEB-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)5((2(2fluorophenoxy)ethyl)sulfanyl)4methyl4H124triazole
3(34dihydro2H15benzodioxepin7yl)5(2(2fluorophenoxy)ethylsulfanyl)4methyl124triazole
CN1C(=NN=C1SCCOC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H20FN3O3Sc12419(14781718(1314)2610492517)222320(24)2812112716632515(16)21h235813H4912H21H3
MFCD27220652
ZINC000021723259
ZINC21723259
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