Vitas-M small molecule compound
1-{6-[4-(dimethylamino)phenyl]-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK520948
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(cc1)N(C)C)N(c1c2cccc1)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 C23H23N5O2S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O2S/c1-5-14-31-23-24-21-20(25-26-23)18-8-6-7-9-19(18)28(15(2)29)22(30-21)16-10-12-17(13-11-16)27(3)4/h5-13,22H,1,14H2,2-4H3InChIKey
KJPHXILFCUUVRL-UHFFFAOYSA-NSynonyms
1(6(4(dimethylamino)phenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4(dimethylamino)phenyl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
1(6(4DIMETHYLAMINOPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=C(C=C4)N(C)C
InChI=1SC23H23N5O2Sc15143123242120(252623)18867919(18)28(15(2)29)22(3021)16101217(131116)27(3)4h51322H114H224H3
MFCD02222639
N(4(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)NNDIMETHYLAMINE
ZINC000002113558
ZINC000002113560
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