Vitas-M small molecule compound

[6-(3,4-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone

Catalog ID
STK521084
SMILES CSc1nnc2c(n1)OC(c1ccc(c(c1)OC)OC)N(c1c2cccc1)C(=O)c1ccccc1

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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 C26H22N4O4S MW 486.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O4S/c1-32-20-14-13-17(15-21(20)33-2)25-30(24(31)16-9-5-4-6-10-16)19-12-8-7-11-18(19)22-23(34-25)27-26(35-3)29-28-22/h4-15,25H,1-3H3
InChIKey
LXLZLXRMLRMAOO-UHFFFAOYSA-N
Synonyms

(6(34dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(34DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL6(34DIMETHOXYPHENYL)3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
COC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C5=CC=CC=C5)OC
InChI=1SC26H22N4O4Sc13220141317(1521(20)332)2530(24(31)1695461016)1912871118(19)2223(3425)2726(353)292822h41525H13H3
MFCD02952143
ZINC000000684692
ZINC000000684693

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Available files

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