Vitas-M small molecule compound
1-[10-chloro-3-(methylsulfanyl)-6-(naphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521972
SMILES CSc1nnc2c(n1)OC(N(c1c2cc(Cl)cc1)C(=O)C)c1cccc2c1cccc2
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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 C23H17ClN4O2S MW 448.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O2S/c1-13(29)28-19-11-10-15(24)12-18(19)20-21(25-23(31-2)27-26-20)30-22(28)17-9-5-7-14-6-3-4-8-16(14)17/h3-12,22H,1-2H3InChIKey
FYTFISSWXIOFCK-UHFFFAOYSA-NSynonyms
1(10chloro3(methylsulfanyl)6(naphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10CHLORO3METHYLSULFANYL6NAPHTHALEN1YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL10CHLORO6(1NAPHTHYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Cl)N=NC(=N2)SC)C4=CC=CC5=CC=CC=C54
InChI=1SC23H17ClN4O2Sc113(29)2819111015(24)1218(19)2021(2523(312)272620)3022(28)1795714634816(14)17h31222H12H3
MFCD03864526
ZINC000000684876
ZINC000000684877
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