Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(2-methylphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980046
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1C
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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 C23H24N4O2S MW 420.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S/c1-4-5-14-30-23-24-21-20(25-26-23)18-12-8-9-13-19(18)27(16(3)28)22(29-21)17-11-7-6-10-15(17)2/h6-13,22H,4-5,14H2,1-3H3InChIKey
HOLUJCAGBVABAF-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(2methylphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(2METHYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2METHYLPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLBUTYLSULFIDE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4C)C(=O)C)N=N1
InChI=1SC23H24N4O2Sc145143023242120(252623)1812891319(18)27(16(3)28)22(2921)1711761015(17)2h61322H4514H213H3
MFCD02222626
ZINC000002094723
ZINC000002094725
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