Vitas-M small molecule compound
6-[(1E)-1-phenylprop-1-en-2-yl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK791980
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)/C(=C/c1ccccc1)/C
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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 C22H22N4OS MW 390.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4OS/c1-3-13-28-22-24-21-19(25-26-22)17-11-7-8-12-18(17)23-20(27-21)15(2)14-16-9-5-4-6-10-16/h4-12,14,20,23H,3,13H2,1-2H3/b15-14+InChIKey
GXULNDKHKCZHAB-CCEZHUSRSA-NSynonyms
6((1E)1phenylprop1en2yl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6((E)1PHENYLPROP1EN2YL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=CC4=CC=CC=C4)C)N=N1
CCCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=Cc1ccccc1)C
InChI=1SC22H22N4OSc13132822242119(252622)1711781218(17)2320(2721)15(2)141695461016h412142023H313H212H3b1514+
MFCD01008241
ZINC000002911901
ZINC000002911904
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