Vitas-M small molecule compound

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

Catalog ID
STK509131
SMILES COc1cc(cc(c1OC)OC)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)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 C22H22N4O5S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5S/c1-12(27)26-15-9-7-6-8-14(15)18-20(23-22(32-5)25-24-18)31-21(26)13-10-16(28-2)19(30-4)17(11-13)29-3/h6-11,21H,1-5H3
InChIKey
NWBGRLRWXHKRBX-UHFFFAOYSA-N
Synonyms

1(3(methylsulfanyl)6(345trimethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3METHYLSULFANYL6(345TRIMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(METHYLSULFANYL)6(345TRIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)OC)OC)OC
InChI=1SC22H22N4O5Sc112(27)2615976814(15)1820(2322(325)252418)3121(26)131016(282)19(304)17(1113)293h61121H15H3
MFCD01929860
ZINC000000683358
ZINC000000683359

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Available files

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