Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(3-ethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980074
SMILES CCCCSc1nnc2c(n1)OC(c1cccc(c1)OCC)N(c1c2cccc1)C(=O)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 C24H26N4O3S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O3S/c1-4-6-14-32-24-25-22-21(26-27-24)19-12-7-8-13-20(19)28(16(3)29)23(31-22)17-10-9-11-18(15-17)30-5-2/h7-13,15,23H,4-6,14H2,1-3H3InChIKey
KSRATGVPIIKWMN-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(3ethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(3ETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
3(7ACETYL3(BUTYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLETHYLETHER
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)OCC)C(=O)C)N=N1
InChI=1SC24H26N4O3Sc146143224252221(262724)1912781320(19)28(16(3)29)23(3122)171091118(1517)3052h7131523H4614H213H3
MFCD02951860
ZINC000002094991
ZINC000002094994
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