Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STL415849
SMILES CCn1c(nnc1c1ccc2c(c1)OCCCO2)SCc1ccc(cc1)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 C20H20FN3O2S MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20FN3O2S/c1-2-24-19(15-6-9-17-18(12-15)26-11-3-10-25-17)22-23-20(24)27-13-14-4-7-16(21)8-5-14/h4-9,12H,2-3,10-11,13H2,1H3InChIKey
NFFSDXSDXLDHON-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)4ethyl5((4fluorobenzyl)sulfanyl)4H124triazole
3(34dihydro2H15benzodioxepin7yl)4ethyl5((4fluorophenyl)methylsulfanyl)124triazole
CCN1C(=NN=C1SCC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H20FN3O2Sc122419(15691718(1215)26113102517)222320(24)2713144716(21)8514h4912H23101113H21H3
MFCD27220684
ZINC000021723314
ZINC21723314
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