Vitas-M small molecule compound
2-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-nitrophenyl acetate
Catalog ID
STK521892
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(ccc1OC(=O)C)[N+](=O)[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 C23H21N5O6S MW 495.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O6S/c1-4-11-35-23-24-21-20(25-26-23)16-7-5-6-8-18(16)27(13(2)29)22(34-21)17-12-15(28(31)32)9-10-19(17)33-14(3)30/h5-10,12,22H,4,11H2,1-3H3InChIKey
FFUBBPNQNNAYTI-UHFFFAOYSA-NSynonyms
(2(7ACETYL3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4NITROPHENYL)ACETATE
2(7acetyl3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4nitrophenylacetate
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)(N+)(=O)(O))OC(=O)C)C(=O)C)N=N1
CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(ccc1OC(=O)C)(N+)(=O)(O)
InChI=1SC23H21N5O6Sc14113523242120(252623)16756818(16)27(13(2)29)22(3421)171215(28(31)32)91019(17)3314(3)30h5101222H411H213H3
MFCD03717008
ZINC000002821901
ZINC000002821902
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