Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
Catalog ID
STL406110
SMILES O=C(N1CCCc2c1cccc2)CSc1nnc(n1C(C)C)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 C25H28N4O3S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S/c1-17(2)29-24(19-10-11-21-22(15-19)32-14-6-13-31-21)26-27-25(29)33-16-23(30)28-12-5-8-18-7-3-4-9-20(18)28/h3-4,7,9-11,15,17H,5-6,8,12-14,16H2,1-2H3InChIKey
NTIYJLQUPCUIKW-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(34dihydroquinolin1(2H)yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)1(34dihydro2Hquinolin1yl)ethanone
CC(C)N1C(=NN=C1SCC(=O)N2CCCC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5
InChI=1SC25H28N4O3Sc117(2)2924(1910112122(1519)32146133121)262725(29)331623(30)28125818734920(18)28h3479111517H568121416H212H3
MFCD27220705
ZINC000064986911
ZINC64986911
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