Vitas-M small molecule compound

N,N-diethyl-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]aniline

Catalog ID
STK957615
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)N(CC)CC

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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 C25H31N5OS MW 449.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5OS/c1-4-7-10-17-32-25-27-24-22(28-29-25)20-11-8-9-12-21(20)26-23(31-24)18-13-15-19(16-14-18)30(5-2)6-3/h8-9,11-16,23,26H,4-7,10,17H2,1-3H3
InChIKey
UOTONDINSBJZLF-UHFFFAOYSA-N
Synonyms
352692-08-1
352692081
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)N(CC)CC)N=N1
InChI=1SC25H31N5OSc14710173225272422(282925)2011891221(20)2623(3124)18131519(161418)30(52)63h8911162326H471017H213H3
MFCD01647867
NNdiethyl4(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)aniline
NNDIETHYL4(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)ANILINE
ZINC000002084392
ZINC000002084393

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Available files

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