Vitas-M small molecule compound
6-(naphthalen-1-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169814
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc2c1cccc2
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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 C25H24N4OS MW 428.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4OS/c1-2-3-8-16-31-25-27-24-22(28-29-25)20-13-6-7-15-21(20)26-23(30-24)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15,23,26H,2-3,8,16H2,1H3InChIKey
UAUAYLLYHBVPJG-UHFFFAOYSA-NSynonyms
6(naphthalen1yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6NAPHTHALEN1YL3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC5=CC=CC=C54)N=N1
InChI=1SC25H24N4OSc1238163125272422(282925)2013671521(20)2623(3024)19149111710451218(17)19h479152326H23816H21H3
MFCD01648218
ZINC000002742049
ZINC000002742050
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