Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-[(2-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazole
Catalog ID
STL406064
SMILES Fc1ccccc1CSc1nnc(n1C)c1ccc2c(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 C19H18FN3O2S MW 371.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN3O2S/c1-23-18(13-7-8-16-17(11-13)25-10-4-9-24-16)21-22-19(23)26-12-14-5-2-3-6-15(14)20/h2-3,5-8,11H,4,9-10,12H2,1H3InChIKey
BYUIIYAQFIFDEW-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)5((2fluorobenzyl)sulfanyl)4methyl4H124triazole
3(34dihydro2H15benzodioxepin7yl)5((2fluorophenyl)methylsulfanyl)4methyl124triazole
CN1C(=NN=C1SCC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCCO4
InChI=1SC19H18FN3O2Sc12318(13781617(1113)2510492416)212219(23)261214523615(14)20h235811H491012H21H3
MFCD27220656
ZINC000021723271
ZINC21723271
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