Vitas-M small molecule compound
1-[6-(2-butoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509320
SMILES CCCCOc1ccccc1C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C23H24N4O3S MW 436.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O3S/c1-4-5-14-29-19-13-9-7-11-17(19)22-27(15(2)28)18-12-8-6-10-16(18)20-21(30-22)24-23(31-3)26-25-20/h6-13,22H,4-5,14H2,1-3H3InChIKey
QIHZZKLLKLIEBP-UHFFFAOYSA-NSynonyms
1(6(2butoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2BUTOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCOC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC23H24N4O3Sc14514291913971117(19)2227(15(2)28)1812861016(18)2021(3022)2423(313)262520h61322H4514H213H3
MFCD02376446
ZINC000002874060
ZINC000002874061
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