Vitas-M small molecule compound
6-(naphthalen-2-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482818
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc2c(c1)cccc2
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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 C23H20N4OS MW 400.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4OS/c1-2-13-29-23-25-22-20(26-27-23)18-9-5-6-10-19(18)24-21(28-22)17-12-11-15-7-3-4-8-16(15)14-17/h3-12,14,21,24H,2,13H2,1H3InChIKey
AGFHELKZSWVDKY-UHFFFAOYSA-NSynonyms
6(2NAPHTHYL)3(PROPYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(naphthalen2yl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6NAPHTHALEN2YL3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC5=CC=CC=C5C=C4)N=N1
InChI=1SC23H20N4OSc12132923252220(262723)189561019(18)2421(2822)17121115734816(15)1417h312142124H213H21H3
MFCD01019072
ZINC000002912991
ZINC000002912993
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