Vitas-M small molecule compound

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

Catalog ID
STK520993
SMILES CCOc1cc(ccc1OC)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 C23H24N4O4S MW 452.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4S/c1-5-19(28)27-16-10-8-7-9-15(16)20-21(24-23(32-4)26-25-20)31-22(27)14-11-12-17(29-3)18(13-14)30-6-2/h7-13,22H,5-6H2,1-4H3
InChIKey
JPLSFHGIEFJSJI-UHFFFAOYSA-N
Synonyms

1(6(3ethoxy4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3ETHOXY4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3ETHOXY4METHOXYPHENYL)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)OC)OCC
InChI=1SC23H24N4O4Sc1519(28)27161087915(16)2021(2423(324)262520)3122(27)14111217(293)18(1314)3062h71322H56H214H3
MFCD02376760
ZINC000000684445
ZINC000000684446

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Available files

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