Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Catalog ID
STL415864
SMILES CCn1c(SCC(=O)Nc2cccc3c2cccc3)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 C25H24N4O3S MW 460.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S/c1-2-29-24(18-11-12-21-22(15-18)32-14-6-13-31-21)27-28-25(29)33-16-23(30)26-20-10-5-8-17-7-3-4-9-19(17)20/h3-5,7-12,15H,2,6,13-14,16H2,1H3,(H,26,30)InChIKey
ISAFJPCYZAAJIL-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)Nnaphthalen1ylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)N(naphthalen1yl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC=CC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5
InChI=1SC25H24N4O3Sc122924(1811122122(1518)32146133121)272825(29)331623(30)2620105817734919(17)20h3571215H26131416H21H3(H2630)
MFCD15078958
ZINC000033087533
ZINC33087533
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