Vitas-M small molecule compound
1-[3-(hexylsulfanyl)-6-(2-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509499
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1OC
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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 C25H28N4O3S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S/c1-4-5-6-11-16-33-25-26-23-22(27-28-25)18-12-7-9-14-20(18)29(17(2)30)24(32-23)19-13-8-10-15-21(19)31-3/h7-10,12-15,24H,4-6,11,16H2,1-3H3InChIKey
KEQAABXGICHYDE-UHFFFAOYSA-NSynonyms
1(3(hexylsulfanyl)6(2methoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6(2METHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4OC)C(=O)C)N=N1
InChI=1SC25H28N4O3Sc145611163325262322(272825)1812791420(18)29(17(2)30)24(3223)19138101521(19)313h710121524H461116H213H3
MFCD13369942
ZINC000003655216
ZINC000003655217
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