Vitas-M small molecule compound
[3-(methylsulfanyl)-6-(pyridin-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521664
SMILES CSc1nnc2c(n1)OC(c1ccccn1)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 C23H17N5O2S MW 427.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N5O2S/c1-31-23-25-20-19(26-27-23)16-11-5-6-13-18(16)28(21(29)15-9-3-2-4-10-15)22(30-20)17-12-7-8-14-24-17/h2-14,22H,1H3InChIKey
XWYWDMPKOFJQIF-UHFFFAOYSA-NSynonyms
(3(methylsulfanyl)6(pyridin2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(3METHYLSULFANYL6PYRIDIN2YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=N4)C(=O)C5=CC=CC=C5)N=N1
InChI=1SC23H17N5O2Sc13123252019(262723)1611561318(16)28(21(29)1593241015)22(3020)171278142417h21422H1H3
MFCD03080517
ZINC000001120009
ZINC000001120011
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