Vitas-M small molecule compound

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

Catalog ID
STK522119
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(cc1)C(C)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 C23H24N4O2S MW 420.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O2S/c1-5-19(28)27-18-9-7-6-8-17(18)20-21(24-23(30-4)26-25-20)29-22(27)16-12-10-15(11-13-16)14(2)3/h6-14,22H,5H2,1-4H3
InChIKey
FKEIPJGEJTWOOH-UHFFFAOYSA-N
Synonyms

1(3(methylsulfanyl)6(4(propan2yl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3methylsulfanyl6(4propan2ylphenyl)6H(124)triazino(56d)(31)benzoxazepin7yl)propan1one
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(C=C4)C(C)C
InChI=1SC23H24N4O2Sc1519(28)2718976817(18)2021(2423(304)262520)2922(27)16121015(111316)14(2)3h61422H5H214H3
MFCD13370966
ZINC000015016907
ZINC000015016908

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Available files

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