Vitas-M small molecule compound

4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-diiodophenyl acetate

Catalog ID
STK520911
SMILES CCCSc1nnc2c(n1)OC(c1cc(I)c(c(c1)I)OC(=O)C)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 C23H20I2N4O4S MW 702.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20I2N4O4S/c1-4-9-34-23-26-21-19(27-28-23)15-7-5-6-8-18(15)29(12(2)30)22(33-21)14-10-16(24)20(17(25)11-14)32-13(3)31/h5-8,10-11,22H,4,9H2,1-3H3
InChIKey
ZTMVNJOZRUEILL-UHFFFAOYSA-N
Synonyms

(4(7ACETYL3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)26DIIODOPHENYL)ACETATE
4(7acetyl3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)26diiodophenylacetate
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)I)OC(=O)C)I)C(=O)C)N=N1
InChI=1SC23H20I2N4O4Sc1493423262119(272823)15756818(15)29(12(2)30)22(3321)141016(24)20(17(25)1114)3213(3)31h58101122H49H213H3
MFCD02182505
ZINC000008452828
ZINC000008452829

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Available files

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