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-(4-fluorophenyl)acetamide
Catalog ID
STL406040
SMILES O=C(Nc1ccc(cc1)F)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(13-3-8-16-17(11-13)28-10-2-9-27-16)23-24-20(25)29-12-18(26)22-15-6-4-14(21)5-7-15/h3-8,11H,2,9-10,12H2,1H3,(H,22,26)InChIKey
KGWIXCJPWPJHFV-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)N(4fluorophenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H19FN4O3Sc12519(13381617(1113)2810292716)232420(25)291218(26)22156414(21)5715h3811H291012H21H3(H2226)
MFCD15078922
ZINC000033087502
ZINC33087502
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