Vitas-M small molecule compound
2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-nitrophenyl acetate
Catalog ID
STK521721
SMILES CCSc1nnc2c(n1)OC(c1cc(ccc1OC(=O)C)[N+](=O)[O-])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 C22H19N5O6S MW 481.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O6S/c1-4-34-22-23-20-19(24-25-22)15-7-5-6-8-17(15)26(12(2)28)21(33-20)16-11-14(27(30)31)9-10-18(16)32-13(3)29/h5-11,21H,4H2,1-3H3InChIKey
NOJCAOMULLVJPJ-UHFFFAOYSA-NSynonyms
(2(7acetyl3ethylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)4nitrophenyl)acetate
2(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4nitrophenylacetate
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)(N+)(=O)(O))OC(=O)C)C(=O)C)N=N1
CCSc1nnc2c(n1)OC(c1cc(ccc1OC(=O)C)(N+)(=O)(O))N(c1c2cccc1)C(=O)C
InChI=1SC22H19N5O6Sc143422232019(242522)15756817(15)26(12(2)28)21(3320)161114(27(30)31)91018(16)3213(3)29h51121H4H213H3
MFCD04231054
ZINC000101008994
ZINC000101008999
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