Vitas-M small molecule compound
1-[3-(benzylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521601
SMILES CC(=O)N1C(C)Oc2c(c3c1cccc3)nnc(n2)SCc1ccccc1
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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-13(25)24-14(2)26-19-18(16-10-6-7-11-17(16)24)22-23-20(21-19)27-12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3InChIKey
CUVSPUBSKSZRCP-UHFFFAOYSA-NSynonyms
1(3(benzylsulfanyl)6methyl(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BENZYLSULFANYL6METHYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC4=CC=CC=C4)C(=O)C
InChI=1SC20H18N4O2Sc113(25)2414(2)261918(1610671117(16)24)222320(2119)2712158435915h31114H12H212H3
MFCD03271342
ZINC000001120359
ZINC000001120362
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