Vitas-M small molecule compound
6-(4-ethylphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169795
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)CC
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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 C21H22N4OS MW 378.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS/c1-3-13-27-21-23-20-18(24-25-21)16-7-5-6-8-17(16)22-19(26-20)15-11-9-14(4-2)10-12-15/h5-12,19,22H,3-4,13H2,1-2H3InChIKey
RMPSCGAUVNAXMM-UHFFFAOYSA-NSynonyms
6(4ethylphenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4ethylphenyl)3propylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)CC)N=N1
InChI=1SC21H22N4OSc13132721232018(242521)16756817(16)2219(2620)1511914(42)101215h5121922H3413H212H3
MFCD01647677
ZINC000002741758
ZINC000002741759
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