Vitas-M small molecule compound

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

Catalog ID
STL169827
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)N(C)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 C23H27N5OS MW 421.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5OS/c1-4-5-8-15-30-23-25-22-20(26-27-23)18-9-6-7-10-19(18)24-21(29-22)16-11-13-17(14-12-16)28(2)3/h6-7,9-14,21,24H,4-5,8,15H2,1-3H3
InChIKey
LBOBTPMMMSGYAO-UHFFFAOYSA-N
Synonyms
352692-88-7
352692887
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)N(C)C)N=N1
InChI=1SC23H27N5OSc1458153023252220(262723)189671019(18)2421(2922)16111317(141216)28(2)3h679142124H45815H213H3
MFCD01647886
NNdimethyl4(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)aniline
NNDIMETHYL4(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)ANILINE
ZINC000002084458
ZINC000002084459

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Available files

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