Vitas-M small molecule compound

4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diyl diacetate

Catalog ID
STK509731
SMILES CSc1nnc2c(n1)OC(c1ccc(c(c1)OC(=O)C)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 C23H20N4O6S MW 480.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6S/c1-12(28)27-17-8-6-5-7-16(17)20-21(24-23(34-4)26-25-20)33-22(27)15-9-10-18(31-13(2)29)19(11-15)32-14(3)30/h5-11,22H,1-4H3
InChIKey
OSFSJCGCQBENMF-UHFFFAOYSA-N
Synonyms

(4(7acetyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)2acetyloxyphenyl)acetate
4(7acetyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzene12diyldiacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C
InChI=1SC23H20N4O6Sc112(28)2717865716(17)2021(2423(344)262520)3322(27)1591018(3113(2)29)19(1115)3214(3)30h51122H14H3
MFCD02377994
ZINC000035655411
ZINC000035655412

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Available files

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