Vitas-M small molecule compound

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

Catalog ID
STK520990
SMILES CCC(=O)N1c2ccccc2c2c(OC1c1cccc(c1OC)OC)nc(nn2)SC

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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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-5-17(27)26-15-11-7-6-9-13(15)18-20(23-22(31-4)25-24-18)30-21(26)14-10-8-12-16(28-2)19(14)29-3/h6-12,21H,5H2,1-4H3
InChIKey
ATXHYENAQNPVGW-UHFFFAOYSA-N
Synonyms
6636-77-7
1(6(23dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(23DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(23DIMETHOXYPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6636777
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=CC=C4)OC)OC
InChI=1SC22H22N4O4Sc1517(27)26151176913(15)1820(2322(314)252418)3021(26)141081216(282)19(14)293h61221H5H214H3
MFCD02376756
ZINC000000684681
ZINC000000684682

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Available files

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