Vitas-M small molecule compound

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

Catalog ID
STK521756
SMILES CCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)F)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 C24H19FN4O3S MW 462.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19FN4O3S/c1-3-33-24-26-22-21(27-28-24)17-6-4-5-7-18(17)29(14(2)30)23(32-22)20-13-12-19(31-20)15-8-10-16(25)11-9-15/h4-13,23H,3H2,1-2H3
InChIKey
MTIWLKJJADBBJP-UHFFFAOYSA-N
Synonyms

1(3(ethylsulfanyl)6(5(4fluorophenyl)furan2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(5(4FLUOROPHENYL)FURAN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC=C(C=C5)F)C(=O)C)N=N1
InChI=1SC24H19FN4O3Sc133324262221(272824)17645718(17)29(14(2)30)23(3222)20131219(3120)1581016(25)11915h41323H3H212H3
MFCD03717726
ZINC000001119847
ZINC000001119848

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Available files

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