Vitas-M small molecule compound
3-(butylsulfanyl)-6-(4-ethylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169778
SMILES CCCCSc1nnc2c(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 C22H24N4OS MW 392.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS/c1-3-5-14-28-22-24-21-19(25-26-22)17-8-6-7-9-18(17)23-20(27-21)16-12-10-15(4-2)11-13-16/h6-13,20,23H,3-5,14H2,1-2H3InChIKey
VXJOVMOGNUBVEQ-UHFFFAOYSA-NSynonyms
3(butylsulfanyl)6(4ethylphenyl)67dihydro(124)triazino(56d)(31)benzoxazepine
3BUTYLSULFANYL6(4ETHYLPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)CC)N=N1
InChI=1SC22H24N4OSc135142822242119(252622)17867918(17)2320(2721)16121015(42)111316h6132023H3514H212H3
MFCD01647676
ZINC000002083674
ZINC000002083675
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