Vitas-M small molecule compound

2-iodo-6-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Catalog ID
STL169916
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(I)c(c(c1)OC)O

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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 C18H15IN4O3S MW 494.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15IN4O3S/c1-25-13-8-9(7-11(19)15(13)24)16-20-12-6-4-3-5-10(12)14-17(26-16)21-18(27-2)23-22-14/h3-8,16,20,24H,1-2H3
InChIKey
KKEDKDJHBWBKDM-UHFFFAOYSA-N
Synonyms

2iodo6methoxy4(3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2IODO6METHOXY4(3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)I)O
InChI=1SC18H15IN4O3Sc1251389(711(19)15(13)24)162012643510(12)1417(2616)2118(272)232214h38162024H12H3
MFCD01919888
ZINC000001168885
ZINC000001168886

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Available files

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