Vitas-M small molecule compound

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

Catalog ID
STK521930
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1OC

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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)14-9-5-7-11-16(14)25(13(2)26)20(28-19)15-10-6-8-12-17(15)27-3/h5-12,20H,4H2,1-3H3
InChIKey
VBFMHJAKYNWCNM-UHFFFAOYSA-N
Synonyms

1(3(ethylsulfanyl)6(2methoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(2METHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4OC)C(=O)C)N=N1
InChI=1SC21H20N4O3Sc142921221918(232421)149571116(14)25(13(2)26)20(2819)1510681217(15)273h51220H4H213H3
MFCD03708617
ZINC000000795567
ZINC000000795568

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Available files

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