Vitas-M small molecule compound

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

Catalog ID
STK520941
SMILES CCCSc1nnc2c(n1)OC(c1cc(OC)c(c(c1)OC)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 C24H26N4O5S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5S/c1-6-11-34-24-25-22-20(26-27-24)16-9-7-8-10-17(16)28(14(2)29)23(33-22)15-12-18(30-3)21(32-5)19(13-15)31-4/h7-10,12-13,23H,6,11H2,1-5H3
InChIKey
WFMBUNNOPNLDRL-UHFFFAOYSA-N
Synonyms

1(3(propylsulfanyl)6(345trimethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3PROPYLSULFANYL6(345TRIMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(PROPYLSULFANYL)6(345TRIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C)N=N1
InChI=1SC24H26N4O5Sc16113424252220(262724)169781017(16)28(14(2)29)23(3322)151218(303)21(325)19(1315)314h710121323H611H215H3
MFCD02222593
ZINC000002087138
ZINC000002087139

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Available files

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