Vitas-M small molecule compound
4-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diyl diacetate
Catalog ID
STK521795
SMILES CCSc1nnc2c(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 C24H22N4O6S MW 494.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O6S/c1-5-35-24-25-22-21(26-27-24)17-8-6-7-9-18(17)28(13(2)29)23(34-22)16-10-11-19(32-14(3)30)20(12-16)33-15(4)31/h6-12,23H,5H2,1-4H3InChIKey
VTJOEKBKVRTAOT-UHFFFAOYSA-NSynonyms
(4(7ACETYL3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ACETYLOXYPHENYL)ACETATE
4(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzene12diyldiacetate
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OC(=O)C)OC(=O)C)C(=O)C)N=N1
InChI=1SC24H22N4O6Sc153524252221(262724)17867918(17)28(13(2)29)23(3422)16101119(3214(3)30)20(1216)3315(4)31h61223H5H214H3
MFCD02378169
ZINC000001159905
ZINC000001159906
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