Vitas-M small molecule compound
1-[6-(1-acetyl-1H-indol-3-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK325811
SMILES CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cn(c2c1cccc2)C(=O)C
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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 C23H19N5O3S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O3S/c1-13(29)27-12-17(15-8-4-6-10-18(15)27)22-28(14(2)30)19-11-7-5-9-16(19)20-21(31-22)24-23(32-3)26-25-20/h4-12,22H,1-3H3InChIKey
USTJWQLCXFRSPD-UHFFFAOYSA-NSynonyms
1(3(7ACETYL3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)INDOL1YL)ETHANONE
1(6(1acetyl1Hindol3yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
CC(=O)N1C=C(C2=CC=CC=C21)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C
InChI=1SC23H19N5O3Sc113(29)271217(158461018(15)27)2228(14(2)30)191175916(19)2021(3122)2423(323)262520h41222H13H3
MFCD01929871
ZINC000012380266
ZINC000012380267
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