Vitas-M small molecule compound
[3-(methylsulfanyl)-6-(thiophen-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521380
SMILES CSc1nnc2c(n1)OC(c1cscc1)N(c1c2cccc1)C(=O)c1ccccc1
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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 C22H16N4O2S2 MW 432.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O2S2/c1-29-22-23-19-18(24-25-22)16-9-5-6-10-17(16)26(20(27)14-7-3-2-4-8-14)21(28-19)15-11-12-30-13-15/h2-13,21H,1H3InChIKey
PHPRAFBJVKMTKH-UHFFFAOYSA-NSynonyms
(3(methylsulfanyl)6(thiophen3yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(3METHYLSULFANYL6THIOPHEN3YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CSC=C4)C(=O)C5=CC=CC=C5)N=N1
InChI=1SC22H16N4O2S2c12922231918(242522)169561017(16)26(20(27)147324814)21(2819)151112301315h21321H1H3
MFCD03080501
ZINC000001159484
ZINC000001159485
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