Vitas-M small molecule compound

1-[6-(2-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521150
SMILES CSc1nnc2c(n1)OC(c1ccccc1OC)N(c1c2cccc1)C(=O)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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-17(26)25-15-11-7-5-9-13(15)18-19(22-21(29-3)24-23-18)28-20(25)14-10-6-8-12-16(14)27-2/h5-12,20H,4H2,1-3H3
InChIKey
JJYOGWIMEQLKGM-UHFFFAOYSA-N
Synonyms

1(6(2methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4OC
InChI=1SC21H20N4O3Sc1417(26)25151175913(15)1819(2221(293)242318)2820(25)1410681216(14)272h51220H4H213H3
METHYL2(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLETHER
MFCD02951965
ZINC000000684307
ZINC000000684308

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Available files

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