Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(4-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520871
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)OC)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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-4-29-21-22-19-18(23-24-21)16-7-5-6-8-17(16)25(13(2)26)20(28-19)14-9-11-15(27-3)12-10-14/h5-12,20H,4H2,1-3H3InChIKey
GLSAITUPDAUZET-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(4methoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(4METHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)OC)C(=O)C)N=N1
InChI=1SC21H20N4O3Sc142921221918(232421)16756817(16)25(13(2)26)20(2819)1491115(273)121014h51220H4H213H3
MFCD01929888
ZINC000000683381
ZINC000000683382
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