Vitas-M small molecule compound

1-[3-(methylsulfanyl)-6-[4-(prop-2-en-1-yloxy)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521205
SMILES C=CCOc1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2

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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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-4-14-29-16-12-10-15(11-13-16)22-27(19(28)5-2)18-9-7-6-8-17(18)20-21(30-22)24-23(31-3)26-25-20/h4,6-13,22H,1,5,14H2,2-3H3
InChIKey
GJBNNKSVWLEKFN-UHFFFAOYSA-N
Synonyms

1(3(methylsulfanyl)6(4(prop2en1yloxy)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3METHYLSULFANYL6(4PROP2ENOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(4(ALLYLOXY)PHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)OCC=C
InChI=1SC23H22N4O3Sc14142916121015(111316)2227(19(28)52)18976817(18)2021(3022)2423(313)262520h461322H1514H223H3
MFCD03080325
ZINC000002104361
ZINC000002104363

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Available files

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