Vitas-M small molecule compound
3-(propylsulfanyl)-6-(thiophen-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169793
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccsc1
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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 C17H16N4OS2 MW 356.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4OS2/c1-2-8-24-17-19-16-14(20-21-17)12-5-3-4-6-13(12)18-15(22-16)11-7-9-23-10-11/h3-7,9-10,15,18H,2,8H2,1H3InChIKey
XUGRSDMBWGBOGN-UHFFFAOYSA-NSynonyms
3(propylsulfanyl)6(thiophen3yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3PROPYLSULFANYL6THIOPHEN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CSC=C4)N=N1
InChI=1SC17H16N4OS2c1282417191614(202117)12534613(12)1815(2216)1179231011h379101518H28H21H3
MFCD01647722
ZINC000002742098
ZINC000002742099
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