Vitas-M small molecule compound
[6-(furan-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521086
SMILES CSc1nnc2c(n1)OC(c1ccco1)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 C22H16N4O3S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O3S/c1-30-22-23-19-18(24-25-22)15-10-5-6-11-16(15)26(20(27)14-8-3-2-4-9-14)21(29-19)17-12-7-13-28-17/h2-13,21H,1H3InChIKey
PPBGBOUIAGHPTA-UHFFFAOYSA-NSynonyms
(6(furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL6(2FURYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CO4)C(=O)C5=CC=CC=C5)N=N1
InChI=1SC22H16N4O3Sc13022231918(242522)1510561116(15)26(20(27)148324914)21(2919)17127132817h21321H1H3
MFCD02952155
ZINC000000684716
ZINC000000684717
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