Vitas-M small molecule compound
1-[6-(2-ethoxy-5-nitrophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509341
SMILES CCOc1ccc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2)[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 C21H19N5O5S MW 453.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5S/c1-4-30-17-10-9-13(26(28)29)11-15(17)20-25(12(2)27)16-8-6-5-7-14(16)18-19(31-20)22-21(32-3)24-23-18/h5-11,20H,4H2,1-3H3InChIKey
UHGJGOMRVGVIDF-UHFFFAOYSA-NSynonyms
1(6(2ethoxy5nitrophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2ETHOXY5NITROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCOC1=C(C=C(C=C1)(N+)(=O)(O))C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
CCOc1ccc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2)(N+)(=O)(O)
InChI=1SC21H19N5O5Sc14301710913(26(28)29)1115(17)2025(12(2)27)16865714(16)1819(3120)2221(323)242318h51120H4H213H3
MFCD02376139
ZINC000002878254
ZINC000002878255
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