Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(3-phenoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509135
SMILES CSc1nnc2c(n1)OC(c1cccc(c1)Oc1ccccc1)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 C25H20N4O3S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N4O3S/c1-16(30)29-21-14-7-6-13-20(21)22-23(26-25(33-2)28-27-22)32-24(29)17-9-8-12-19(15-17)31-18-10-4-3-5-11-18/h3-15,24H,1-2H3InChIKey
DZFDUSRGSUQPEF-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(3phenoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(3PHENOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
3(7ACETYL3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLPHENYLETHER
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OC5=CC=CC=C5
InChI=1SC25H20N4O3Sc116(30)292114761320(21)2223(2625(332)282722)3224(29)17981219(1517)3118104351118h31524H12H3
MFCD01929850
ZINC000000683348
ZINC000000683349
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