Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Catalog ID
STL406026
SMILES O=C(Nc1ccccc1F)CSc1nnc(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 C20H19FN4O3S MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19FN4O3S/c1-25-19(13-7-8-16-17(11-13)28-10-4-9-27-16)23-24-20(25)29-12-18(26)22-15-6-3-2-5-14(15)21/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,22,26)InChIKey
QWIXDFUIKAUIKL-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(2fluorophenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(2fluorophenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H19FN4O3Sc12519(13781617(1113)2810492716)232420(25)291218(26)2215632514(15)21h235811H491012H21H3(H2226)
MFCD27220643
ZINC000064986874
ZINC64986874
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