Vitas-M small molecule compound

1-[3-(ethylsulfanyl)-6-(3-iodo-4,5-dimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK520821
SMILES CCSc1nnc2c(n1)OC(c1cc(I)c(c(c1)OC)OC)N(c1c2cccc1)C(=O)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 C22H21IN4O4S MW 564.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21IN4O4S/c1-5-32-22-24-20-18(25-26-22)14-8-6-7-9-16(14)27(12(2)28)21(31-20)13-10-15(23)19(30-4)17(11-13)29-3/h6-11,21H,5H2,1-4H3
InChIKey
JUHSAJFMTJCGDJ-UHFFFAOYSA-N
Synonyms

1(3(ethylsulfanyl)6(3iodo45dimethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(3IODO45DIMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ETHYLSULFANYL)6(3IODO45DIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)I)OC)OC)C(=O)C)N=N1
InChI=1SC22H21IN4O4Sc153222242018(252622)14867916(14)27(12(2)28)21(3120)131015(23)19(304)17(1113)293h61121H5H214H3
MFCD02071189
ZINC000000683719
ZINC000008452791

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Available files

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