Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(4-methoxynaphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520818
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccc(c2c1cccc2)OC
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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 C25H22N4O3S MW 458.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O3S/c1-4-33-25-26-23-22(27-28-25)19-11-7-8-12-20(19)29(15(2)30)24(32-23)18-13-14-21(31-3)17-10-6-5-9-16(17)18/h5-14,24H,4H2,1-3H3InChIKey
MRRGQYCXNAEMHF-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(4methoxynaphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(4METHOXYNAPHTHALEN1YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)1NAPHTHYLMETHYLETHER
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C5=CC=CC=C45)OC)C(=O)C)N=N1
InChI=1SC25H22N4O3Sc143325262322(272825)1911781220(19)29(15(2)30)24(3223)18131421(313)171065916(17)18h51424H4H213H3
MFCD02071186
ZINC000000683717
ZINC000000683718
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