Vitas-M small molecule compound
6-(5-methylfuran-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169823
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-3-4-7-12-27-20-22-19-17(23-24-20)14-8-5-6-9-15(14)21-18(26-19)16-11-10-13(2)25-16/h5-6,8-11,18,21H,3-4,7,12H2,1-2H3InChIKey
CLXPOORUKSYXBX-UHFFFAOYSA-NSynonyms
352705-73-8352705738
6(5METHYL2FURYL)3(PENTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(5methylfuran2yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5METHYLFURAN2YL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C)N=N1
InChI=1SC20H22N4O2Sc1347122720221917(232420)14856915(14)2118(2619)16111013(2)2516h568111821H34712H212H3
MFCD01648110
ZINC000002745364
ZINC000002745365
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