Vitas-M small molecule compound
[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
Catalog ID
STL169818
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=O)c1ccc(cc1)OC
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-3-4-13-30-22-24-20-18(25-26-22)16-7-5-6-8-17(16)23-21(29-20)19(27)14-9-11-15(28-2)12-10-14/h5-12,21,23H,3-4,13H2,1-2H3InChIKey
LZZVEUBSAZVGES-UHFFFAOYSA-NSynonyms
(3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)(4methoxyphenyl)methanone
(3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)(4METHOXYPHENYL)METHANONE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=O)C4=CC=C(C=C4)OC)N=N1
InChI=1SC22H22N4O3Sc134133022242018(252622)16756817(16)2321(2920)19(27)1491115(282)121014h5122123H3413H212H3
MFCD02053802
ZINC000002085621
ZINC000002085622
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