Vitas-M small molecule compound
6-[(E)-2-(furan-2-yl)ethenyl]-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482841
SMILES CCCCCCSc1nnc2c(n1)OC(/C=C/c1ccco1)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 C22H24N4O2S MW 408.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O2S/c1-2-3-4-7-15-29-22-24-21-20(25-26-22)17-10-5-6-11-18(17)23-19(28-21)13-12-16-9-8-14-27-16/h5-6,8-14,19,23H,2-4,7,15H2,1H3/b13-12+InChIKey
IPOYLCFYDPZNOI-OUKQBFOZSA-NSynonyms
6((E)2(furan2yl)ethenyl)3(hexylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6((E)2(FURAN2YL)ETHENYL)3HEXYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C=CC4=CC=CO4)N=N1
CCCCCCSc1nnc2c(n1)OC(C=Cc1ccco1)Nc1c2cccc1
InChI=1SC22H24N4O2Sc12347152922242120(252622)1710561118(17)2319(2821)13121698142716h568141923H24715H21H3b1312+
MFCD02377457
ZINC000003772512
ZINC000003772514
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