Vitas-M small molecule compound

4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-iodo-6-methoxyphenol

Catalog ID
STL169861
SMILES CCSc1nnc2c(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 C19H17IN4O3S MW 508.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17IN4O3S/c1-3-28-19-22-18-15(23-24-19)11-6-4-5-7-13(11)21-17(27-18)10-8-12(20)16(25)14(9-10)26-2/h4-9,17,21,25H,3H2,1-2H3
InChIKey
WTUYJDMTLISPIT-UHFFFAOYSA-N
Synonyms

4(3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2iodo6methoxyphenol
4(3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2IODO6METHOXYPHENOL
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)I)O)OC)N=N1
InChI=1SC19H17IN4O3Sc132819221815(232419)11645713(11)2117(2718)10812(20)16(25)14(910)262h49172125H3H212H3
MFCD01834919
ZINC000000668964
ZINC000000668966

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Available files

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