Vitas-M small molecule compound
1-[3-(hexylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509218
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc(cc1)SC)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 C25H28N4O2S2 MW 480.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O2S2/c1-4-5-6-9-16-33-25-26-23-22(27-28-25)20-10-7-8-11-21(20)29(17(2)30)24(31-23)18-12-14-19(32-3)15-13-18/h7-8,10-15,24H,4-6,9,16H2,1-3H3InChIKey
AQHGMKIAPMXTKX-UHFFFAOYSA-NSynonyms
1(3(hexylsulfanyl)6(4(methylsulfanyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6(4METHYLSULFANYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(HEXYLSULFANYL)6(4(METHYLSULFANYL)PHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)SC)C(=O)C)N=N1
InChI=1SC25H28N4O2S2c14569163325262322(272825)2010781121(20)29(17(2)30)24(3123)18121419(323)151318h78101524H46916H213H3
MFCD02952059
ZINC000002104739
ZINC000002104741
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