Vitas-M small molecule compound
1-[3-(hexylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509214
SMILES CCCCCCSc1nnc2c(n1)OC(c1cccnc1)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 C23H25N5O2S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O2S/c1-3-4-5-8-14-31-23-25-21-20(26-27-23)18-11-6-7-12-19(18)28(16(2)29)22(30-21)17-10-9-13-24-15-17/h6-7,9-13,15,22H,3-5,8,14H2,1-2H3InChIKey
CQYVPSZLMWSAAD-UHFFFAOYSA-NSynonyms
1(3(hexylsulfanyl)6(pyridin3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6PYRIDIN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(HEXYLSULFANYL)6(3PYRIDINYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CN=CC=C4)C(=O)C)N=N1
InChI=1SC23H25N5O2Sc13458143123252120(262723)1811671219(18)28(16(2)29)22(3021)1710913241517h679131522H35814H212H3
MFCD02952054
ZINC000008453154
ZINC000008453155
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