Vitas-M small molecule compound
3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK509554
SMILES CCCCCCSc1nnc2c(n1)OC=Nc1c2cccc1
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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 C16H18N4OS MW 314.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4OS/c1-2-3-4-7-10-22-16-18-15-14(19-20-16)12-8-5-6-9-13(12)17-11-21-15/h5-6,8-9,11H,2-4,7,10H2,1H3InChIKey
ORFKCRDNLKSEIW-UHFFFAOYSA-NSynonyms
892248-71-43(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepine
3HEXYLSULFANYL(124)TRIAZINO(56D)(31)BENZOXAZEPINE
892248714
CCCCCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1
InChI=1SC16H18N4OSc12347102216181514(192016)12856913(12)17112115h568911H24710H21H3
MFCD13369947
ZINC000003656382
ZINC03656382
ZINC3656382
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