Vitas-M small molecule compound

1-[6-(4-fluorophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK520937
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(cc1)F)N(c1c2cccc1)C(=O)C

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C21H17FN4O2S MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17FN4O2S/c1-3-12-29-21-23-19-18(24-25-21)16-6-4-5-7-17(16)26(13(2)27)20(28-19)14-8-10-15(22)11-9-14/h3-11,20H,1,12H2,2H3
InChIKey
SUXCUAGMBPKGIH-UHFFFAOYSA-N
Synonyms

1(6(4fluorophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4FLUOROPHENYL)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)F
InChI=1SC21H17FN4O2Sc13122921231918(242521)16645717(16)26(13(2)27)20(2819)1481015(22)11914h31120H112H22H3
MFCD02222650
ZINC000002978307
ZINC000002978308

Check stock

See real-time availability and sample size for STK520937 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.